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Love at first sight |Jun 05|

The latest version of Maple changed Felix Grant's mathematical life in a weekend I've been familiar with Maple for a long time. It is the standard mathematics environment for many educational institutions, and many students turn in their assignments as Maple worksheets. Its power is beyond question. But 'easy to use' never seemed the most obvious way to describe it. Although a new, graphical page interface brought natural interaction a while ago, I was impressed but set in my ways. With release 10 comes yet another interface option, and I am won over.

I have never been a fan of on-screen calculators, so when I installed the review copy of Maple 10, I paid no immediate attention to the icon labelled 'Maple Calculator'. Fortunately, my stepdaughter's nine-year-old son was less sniffy. 'Hey,' said his voice from the corner of the room, 'this is cool!' He was right.

There is the usual scientific keypad: numerals, parentheses, exponent entry, trig and log functions, factorial and complex number unit. An additional alphabetic pad sits alongside, for variables. A matrix/list editor button, then the display area with scrolling tape session history. At top right, a secondary display area: help text by default, but showing other material in response to six tabs (Help, Graph, Data, Variables, Math, Settings) above it. And, behind it all, the power of a mainstream computer algebra package.

Any problems are small. Options changed in the settings tab are not 'sticky' - set scientific notation or complex number system and they hold until shut down, but revert to normal decimal real at next start up. Some functions that report accurately in the conventional interfaces display minute inaccuracies: Sin(?), for example, shows as -2.07*10-13 in the calculator.

Perhaps the biggest plus is that syntax considerations are all but removed. Each function is entered by a mouse click, a clear guide to the required parameters and their order being shown simultaneously. In the conventional worksheet, I frequently make syntax mistakes which then have to be corrected; less so in the newer graphical page environment; never in the calculator.

The calculator icon is now permanently on my Windows quick start bar, a USB numeric keypad replacing the handheld one beside the laptop. For symbolics, Maple's graphical page is a natural progression (a psychological success for Maplesoft) and beyond that, for running programs or heavy weight masochism, lies the worksheet. Together, the three take me closer to 'electronic scribbling on an envelope' than I have ever been; my routine mathematical life has changed in a weekend. from Scientific Computing World website
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Forward and inverse problem solvers |Jun 05|

DynaFlow has expertise in the solution of forward and inverse problems arising from the boundary integral formulation of fluid flows and electric fields.

3DynaFS (or 2DynaFS, the axisymmetric version) provides solutions for 3D unsteady incompressible potential flows in the presence of free surfaces. The software can handle the dynamics of multiple bubbles near solid boundaries, free surfaces, submerged or floating objects, non-uniform flows, free surface waves, and body motions. In addition to its original application of cavitation bubbles, 3DynaFS was recently applied to propeller cavitation studies and ship hydrodynamics. It can be coupled with other general-purpose fluid dynamics and structure codes, such as Uncle and Dyna3D. DynaEIT is based on the same BEM method and employs efficient algorithms for electrical impedance tomography (EIT). EIT seeks to image the interior of a container, based on the electric measurements conducted on the outside, using algorithms for multi-dimensional minimisation. These EIT algorithms can be applied to medical imaging, multiphase flows encountered in chemical, oil and gas, and energy industries, non-destructive tests, and underground imaging and detection. from Scientific Computing World website
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Extreme Optimization for .NET |Jun 05|

The Extreme Optimization Mathematics Library for .NET is a numerical library for the Microsoft .NET framework. It includes classes for complex numbers, polynomials, curve fitting, equation solving, numerical integration and differentiation, vectors, matrices, matrix decompositions and various special functions commonly used in scientific computing. The linear algebra code uses processor-optimised versions of the standard BLAS and LAPACK routines. All routines are callable from any .NET language, including C#, Visual Basic, and Managed C++.

The library lets developers exploit the enhanced productivity features of the .NET platform. Consistency, both with Microsoft's Design Guidelines for Class Library Developers and internally, ensures that developers can reuse what they have learnt building applications for the .NET framework. The objects in the library correspond to the concepts used to model mathematical problems. Upcoming companion products include a statistical library and an extended matrix library. from Scientific Computing World website
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Multiphysics modelling |Jun 05|

FEMLAB is multiphysics modelling software for investigating scientific and engineering problems that involve partial differential equations. Users can simultaneously solve virtually any combination of physics, such as electromagnetics, heat transfer, and structural mechanics, without writing any code. This complete package includes CAD tools, predefined interfaces for physics and equation specifications, a choice of solvers, and multiple visualisation and post-processing tools. Extensive model libraries document and demonstrate hundreds of examples from technical literature and real-world applications. The software supports 64-bit platforms to handle large-scale computations. A seamless interface to MatLab allows users to combine both packages.

Also available are add-on modules customised for particular areas of investigation; these modules supply PDE templates with pre-selected equations where users simply enter coefficients. Add-ons are available for chemical engineering, earth science, electromagnetics, heat transfer, MEMS, and structural mechanics. from Scientific Computing World website
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CenterSpace for .NET |Jun 05|

The NMath Suite of numerical component libraries from CenterSpace Software provides building blocks for mathematical, financial, engineering, and scientific applications on the .NET platform. Features include matrix and vector classes, linear algebra, random number generators, numerical integration methods, interpolation, statistics, biostatistics, multiple linear regression, and analysis of variance (ANOVA).

For basic linear algebra operations, NMath libraries use proven, optimised versions of public-domain subroutine libraries, such as the BLAS (Basic Linear Algebra Subprograms) and LAPACK (Linear Algebra PACKage). This gives NMath routines performance levels comparable to C or FORTRAN, but with easy-to-use interfaces that use the full power of the .NET platform. Compliant with the Microsoft Common Language Specification, all NMath routines are callable from any .NET language, including C# and Visual Basic.NET. from Scientific Computing World website
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Problem solving with differential equations |Jun 05|

FlexPDE is a script-driven 'problem-solving environment' for partial differential equations, including heat flow, electric and magnetic fields, stress analysis, and other areas of science and engineering.

Users can present their equations, boundary conditions, domain description and graphics output requests to FlexPDE in a readable, self-documenting script format. FlexPDE automatically builds a mesh, constructs a finite element model of the system, solves it, and presents graphical output.

FlexPDE can process linear or nonlinear equations in one, two, or three space dimensions, steady-state, time-dependent or eigenvalues. It supports unlimited equation complexity, unlimited number of variables, adaptive mesh refinement and adaptive time-step control. Flexible graphic output is provided, or users can export to TecPlot, VisIt or other graphics systems for visualisations. from Scientific Computing World website
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Mathsoft looks to the enterprise |Jun 05|

Mathsoft's calculation management suite is an enterprise software solution designed specifically to help engineering organisations create and manage engineering information.

The suite includes Mathcad 12 with an open-data model, scalability, new flexibility to document engineering-critical values, greatly expanded units and dimensions handling, and new 2D plotting capabilities.

Mathcad also features an XML architecture, which delivers an open-engineering data model, enabling powerful publishing, collaboration, integration and search capabilities, especially when deployed across an enterprise. The suite also includes Designate, a software framework for viewing searching and publishing Mathcad worksheets from a web browser. from Scientific Computing World website
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Maths for optimised performance |Jun 05|

Mathematical software from The Numerical Algorithms Group (NAG) underpins thousands of applications spanning the globe in industries as diverse as financial analysis, science and engineering, and in academia and research.

The latest release of the NAG Fortran Library now features more than 1,450 routines. In addition to numerical libraries in C, Fortran 77 and 90, recent developments have also included the production of a subset of routines in C# for developers using the Microsoft .NET environment. This environment allows rapid program development in the whole family of .NET languages, including C#, C++, J# and Visual Basic. from Scientific Computing World website
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Solving intensive problems |Jun 05|

The latest release from The Mathworks is MatLab 7, which offers built-in support for integer and single- precision floating-point mathematics, as well as features for managing and analysing larger data sets. A large number of optimisations across data types, operations, functions, and hardware, result in improved computational performance, while the enhanced MatLab Compiler enables developers to deploy many more applications for use outside the MatLab environment. from Scientific Computing World website
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Virtual prototyping of RF devices |Jun 05|

Simulation software is essential to engineering design, with the concept of 'virtual prototyping' now commonplace in the design of RF and microwave devices as elsewhere. Concerto, from Vector Fields, is a three-dimensional high-frequency modelling package which uses the conformal finite-difference time-domain method. It can model all microwave devices including patch, slot, wire or horn antennas, waveguides, couplers, filters etc.

A 3D geometric modeller permits simple or complex shapes to be created quickly, or models can be built using a library of predefined, parameterised objects. Other functions include blending, chamfering, twisting, lofting and 'morphing'. Thin sheets and wires can be embedded within the finite-difference grid.

The Quickwave Simulator is based on the finite-difference time-domain (FDTD) technique, and uses conforming meshing technology to ensure complex geometries are easily and efficiently modelled. Conforming elements allow material boundaries to intersect with finite difference cells, so that cells can contain more than one material. Applications include telecommunications, microwave ovens, defence, microwave chemistry, space and atmosphere research, food processing, and electromagnetic impact on biological tissues. from Scientific Computing World website
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Organisation-wide maths |Jun 05|

Wolfram Research develops computing software for science and technology, providing organisation-wide computing solutions. Mathematica, the company's main product, offers facilities ranging from simple calculator operations to large-scale programming and interactive-document preparation, and is in use at the frontiers of scientific research, in engineering analysis and modelling, in technical education from high school to graduate school, and wherever quantitative methods are used.

Mathematica's features include symbolic and numeric computation, 2D and 3D data visualisation, broad programming capabilities, and one-step creation of web documents. Mathematica's native notebook format is Wolfram's universal document technology, with an open, structured syntax and active content. It allows for the generation of cross-platform, customisable files that provide professional mathematical typesetting and high-quality layout of electronic and printed media.

Wolfram also has a growing library of add-on application packages for areas such as engineering, finance, statistics, data analysis, web deployment, and grid computing. from Scientific Computing World website
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Non-linear applications |Jun 05|

Infinity, from Mathrevolt, is new maths software for non-linear applications. It can solve ordinary differential equations (ODE) and ODE systems, ordinary non-autonomous differential equations systems; nonlinear non-stationary differential equations and systems. In addition, the program solves derivatives, linear algebraic equations systems, and works with polynoms, including opening brackets and normalising expressions.

The program can compute ordinary non-linear non-autonomous systems of differential equations with the limiting absolute local error top level given. Calculation step choice is adaptive and anticipates the dynamics of the solution change. The software can overcome first- and second-kind discontinuities, while revealing locally unstable areas in the solution. from Scientific Computing World website
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Design and analyse pumps with Kreila and Gridgen |Jun 05|

Pointwise is helping solve a major problem facing engineering analysts: mesh generation for computational fluid dynamics. Manufacturing firms and research organisations use Pointwise's Gridgen software to create the 'digital geometry' enabling computer simulation of a product's performance in a fluid environment.

One unique Gridgen application is a custom interface that reads geometry files directly from pump-design software, Kreila, and grids them automatically. Once a design is complete in Kreila, a complete, high-quality model is built and made ready for immediate CFD analysis at the push of a button. Gridgen will export the model in the native format of many CFD solvers, including CFX, STAR-CD, and Fluent. Gridgen gives users the flexibility to add other portions of the flowpath.

Kreila and Gridgen provide highly automated design and analysis with the flexibility to make detailed changes if needed.
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Northwestern quality analysis |Jun 05|

Northwest Analytical has released Version 6 of Quality Analyst, its statistical process control (SPC) charting and analysis tool, designed to help manufacturers understand and improve their processes to increase product quality, reduce defects, waste and costs, meet customer requirements, certify vendors and comply with regulatory requirements.

NWA Quality Analyst Version 6 enables manufacturers to identify process improvements and execute quality initiatives, such as Six Sigma, CAPA (Corrective Action/Preventative Action) and ISO. The new version simplifies the integration of SPC and process quality data with manufacturing information systems such as ERP, MES and LIMS.

Enhancements include: assignable cause/corrective action (AC/CA); better access to chart information; more powerful presentation of chart data; new graphics viewer; rainbow charts; more graphic output formats; improved setup of database connectivity; database synchronisation; and XML output and parameter files. from Scientific Computing World website
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Biobanking from Sapphire |Jun 05|

LabVantage Solutions, which offers browser-based laboratory information management solutions tailored for the life sciences industry, has produced the Sapphire BioBanking Solution.

Built in conjunction with the original developers of the Spectrum repository management tool, the software offers a complete, out-of-the-box sample management and tracking system for biological specimens. It is designed to address the challenges of specimen collection and banking for pharmaceutical discovery and clinical operations, academic and biosciences research centres, medical institutions, and contract research organisations. It provides a browser-based interface, and a built-in Evergreen configuration tool to tailor the software to the needs of each laboratory within an organisation.

Integrated with Sapphire's existing laboratory information management system for life sciences R&D, it can easily be integrated with third-party public databases, instruments, clinical trail management systems, electronic data capture systems, and existing laboratory information management systems. from Scientific Computing World website
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Standard reporting at affordable prices |Jun 05|

QSI has licensed two items of software from Business Objects -- Crystal XI and Business Objects Enterprise - for its WinLIMS reporting module. According to the company, this agreement means that even small laboratories can now achieve the industry standard when it comes to reporting, and at an affordable price.

BO Enterprise provides a secure, central control and publishing facility and repository for documents and reports and also includes a wide range of management tools. Reports can be filed and controlled by category -- for example, those needing access, such as lab manager, technician or customer. In the same way, different elements of a report can be sent to different recipients depending on their specific needs or security profile. For audit purposes, it helps to know when reports are run outside the controlled WinLIMS environment, e.g. via the web. The reporting module can maintain a history of each report, recording each time it is run and the data within it at the time. Crystal Reports offers dynamic prompts and cascading prompt lists to simplify report design. from Scientific Computing World website
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Linking LIMS to open labs |Jun 05|

Scientific Software and Labtronics have announced the development of LimsLink for OpenLAB, an off-the-shelf module for integrating third- party LIMS systems to SSI's OpenLAB software. More than 30 different commercial LIMS systems from different LIMS vendors can be integrated into OpenLAB.

LimsLink for OpenLAB provides: extraction and transfer of sample data from LIMS to instruments; transfer of data from OpenLAB to third party LIMS; viewing OpenLAB reports from within third party LIMS packages; and transfer of LIMS data to OpenLAB to make future searches easier. Available from Labtronics, it can be added to OpenLAB version 2.0 or greater. from Scientific Computing World website
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Improved graphs |Jun 05|

Synergy Software has released KaleidaGraph 4.0, containing significant axes improvements and other enhancements to its graphing and data analysis toolsets.

Axes can now be broken to allow a user to show a graph that contains large gaps in data. Linear and log scales can be used on both sides of the break. Axes can now be moved and placed at a set value. Offset axes can now be created by dragging the x and y axes away from the plot. Two axes can even be positioned on the same side of the plot. The KaleidaGraph data window has been completely redesigned allowing for greater flexibility when probing technical data. Columns and rows can be independently re-sized. The data window can be split into multiple panes allowing several slices of data to be viewed simultaneously.

The interface has been changed to include tabbed dialogues, which provide intuitive access to plot settings and variable choices. A new feature takes the guesswork out of modifying plots by allowing scientists to preview plot changes before they take effect.

Post hoc tests for ANOVA, including Student-Newman-Keuls, Sheffe and Fisher's LSD, have been added. from Scientific Computing World website
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Vortices visualised |Jun 05|

2DFLOW, from Dynaflow, is a program for visualising flows induced by the distributions of point and line singularities, such as vortices, dipoles and sources. It graphically illustrates the use of potential flow theory, by the combination of a uniform flow with a variety of singularities to simulate a wide range of fluid-mechanics problems.

2DFLOW produces graphic representations of many classical fluid-dynamics problems. When used in conjunction with a fluid dynamics class, 2DFLOW can make visualisation of textbook theory as easy as clicking the mouse. It also allows the user to simulate and visualise complex flows making it a valuable tool for the professional.

Highlights include: point-and-click singularity insertion and editing; solid boundaries and objects of arbitrary shapes can be inserted in the flow; study internal as well as external flows; problem simulation that allows the user to compute and view flow-trajectories, equipotential-lines, stream-lines, pressures and velocity vectors, using full-colour contours, iso-quantity lines and trajectories; circulation and force computation along a user defined elliptical or rectangular area and flux computation along a user-defined line; particle and strain-element emission from arbitrary regions in the flow-field; 2D and 3D graphical representations of flow quantities; interactive animation of the flow-field using scalar particle distributions and allowing motion of inserted vortices. from Scientific Computing World website
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Fluid dynamics models engines |Jun 05|

CD-adapco has announced the release of the Windows version of Star-CD v3.24, the latest release of its industrial CFD software, Star-CD.

The new release is aimed directly at the engine modelling world, including the 3 Zone Extended Coherent Flame Model (ECFM-3Z) combustion model. ECFM-3Z is the first truly general purpose combustion model, capable of simulating the combustion process within gasoline, diesel, and hybrid concept engines. from Scientific Computing World website
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webMathematica 2.2 includes version 5.1 |Jun 05|

WebMathematica 2.2, from Wolfram Research, provides expanded web development options. Building on Mathematica Version 5.1's capabilities for working with large-scale, diverse types of data, webMathematica offers more than 50 new functions, toolkits, and performance improvements. Highlights include: built-in universal database connectivity; industrial-strength string manipulation; integrated web services support; authoring system preview; optimised binary data I/O; support for new 64-bit architectures; and additional graphic, web, and matrix import-export formats.

New kinds of application development on a wider range of platforms can now be realised with webMathematica 2.2. Industrial-strength string manipulation makes it a good fit for data mining and bioinformatics applications, while support for web services makes it easy for users to harness financial, environmental, language translation, and other information resources. from Scientific Computing World website
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Application libraries for modelling electric drives |Jun 05|

The MathWorks has made available SimPowerSystems 4, which enables engineers to use model-based design to model and simulate electrical circuits and power systems within Simulink.

New application libraries include electric drives, flexible AC transmission systems (FACTS), and distributed resources, containing more than 150 blocks distributed in eight sub-libraries, including electric sources, electric machinery, and three-phase components. The libraries represent both simple and complex electric components, such as resistors, inductors, capacitors, and AC and DC electric drives.

Together with SimMechanics and SimDriveline, SimPowerSystems 4 is the latest addition to The MathWorks' physical modelling tools, which provide electromechanical solutions and multi-domain capabilities for complex modelling and simulation. It is available immediately for Windows, UNIX/Linux, and Macintosh platforms. from Scientific Computing World website
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Maplesoft announces suite of rapid control development tools |Jun 05|

Maplesoft has announced ICP (Intelligent Controller Parameterisation) for Maple, a suite of rapid control development tools. The first product in the MapleConnect Premier Series, ICP for Maple enables easy identification of non-linear engineering systems and automatic development of the required controller structure and parameters to achieve design objectives.

Users who need high-precision models of existing dynamic systems, particularly for control design, can capture the system output and generate continuous Laplace transfer functions that fully characterise the system across different operating points, by simply stimulating the system with an input signal. ICP then applies robust algorithms to the plant transfer functions to generate robust controller structures and optimal controller parameters without the need to be familiar with the underlying control theory. from Scientific Computing World website
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Design Science support for MathML |Jun 05|

XyEnterprise, a developer of XML content management and enterprise publishing software, has announced that its XML Professional Publisher (XPP) software now integrates with Design Science's standards-based MathFlow Editor.

XPP is used to produce scientific, technical and medical journals, as well as many other types of print and electronic publications. Combined with MathFlow's graphical interface, which supports the creation of complex mathematical expressions, publishers of complex mathematical information now have a user-friendly publishing tool that supports the increasingly important MathML standard.

MathFlow Editor is a native MathML equation editor that works within XPP. Its user interface is similar to that of Design Science's MathType and Equation Editor products with Microsoft Word. Equations appear in typeset form within the XPP and are saved as MathML within the document. from Scientific Computing World website
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Accelrys announces products portfolio |Jun 05|

Accelrys has announced its 2005 product portfolio, with the launch of new products across its entire range of software for pharmaceutical, chemical, and materials researchers.

Additionally, the company has unveiled its Open Integration Platform, which will integrate software from Accelrys and its recently acquired subsidiary, SciTegic.

In this launch, Accelrys has introduced more than 15 enhancements or new products. It is extending Discovery Studio to include the latest release of DS GCG -- a package of more than 100 sequence analysis tools for bioinformaticians. Also included is DS MedChem Explorer, a tool for designing and optimising lead compounds at the desktop; it has now been enhanced with new ADME/Tox models and support for Linux. DS ViewerPro, which provides desktop access to tools for generating, sharing, and analysing high-quality molecular information, now includes a 2D viewing option, as well as automatic field-fitting for easier superposition of molecules. DS Accord for Excel, which displays and calculates chemical information, can now retrieve data from Oracle-based Accord Enterprise Informatics products through a data analysis wizard.

Among the enhanced Linux offerings are Quanta, for X-ray crystallographers, which now features a Linux port and certification on IBM Thinkpads and IntelliStations running Red Hat Linux. Insight II, a protein modelling and simulation package, now allows integration between Linux and IRIX. Insight II is also certified and optimised on IBM IntelliStations running Red Hat Linux.

For chemists and screening biologists, Accord Enterprise Informatics (AEI) now incorporates a new version of the Accord Chemistry Engine, which includes new calculators, Markush support, and enhanced stereochemistry support.

Materials Studio (MS) Modeling, for computational researchers in chemicals and materials R&D, offers new functionality for polymer chemists in the form of Blends, which allows calculation of miscibility for binary polymer and solvent systems. MS Modeling also features the first of set of tools derived for the current Accelrys Nanotechnology Consortium, including nano-builders.
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Lithium lifts information for lab scientists |Jun 05|

Tripos has released Lithium 2.1, the latest version of its 3-D molecular data desktop tool, which allows research scientists to make faster decisions by giving them access to computational research information in a user-friendly desktop format.

Specifically designed to foster communications between front-line life sciences researchers and computational chemists, Lithium allows researchers to view and evaluate molecular data, and to share it with their colleagues. By having access to complex 3-D chemical information, laboratory researchers can more rapidly decide what compounds to synthesise or explore -- saving both time and cost.

Enhancements include new scientific, graphic and operational features, hyperlink captions, and an integrated Web browser that lets users apply chemical knowledge to corresponding 3D molecular structures. The release contains two components. Lithium Base is the enterprise platform that allows users to automate repetitive tasks through automatically generated procedures that can be played back later on the same or other relevant models and shared with others. Lithium Developer supports custom interfaces and applications based on an organisation's specific needs. from Scientific Computing World website
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Storing and searching chemical data within Oracle |Jun 05|

Tripos' latest Oracle data cartridge, AUSPYX 1.6, is built on Oracle's extensibility architecture and enables storage and searching of chemical structures and associated relational data within Oracle environments.

Developed and validated in collaboration with its pharmaceutical partners, the AUSPYX Data Cartridge provides a core framework upon which to build high-performance cheminformatics applications such as: compound registration, inventory, and ordering systems; electronic laboratory notebooks; reagent selection systems; and virtual HTS systems. from Scientific Computing World website
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Thermo Electron enhances protein identification software |Jun 05|

Thermo Electron Corporation has introduced the latest version of its protein identification software suite, BioWorks 3.2, designed to support Thermo's entire range of Finnigan ion trap mass spectrometers.

BioWorks uses the Sequest algorithm for searching protein databases, and now features probability-based scoring to complement traditional Sequest scores. Additional features include a unified search-results file-format to speed up data analysis and support for accurate mass searching. The Xpress stable isotope quantitation algorithm and the protein area/height calculation have also been considerably improved.

BioWorks automatically identifies proteins by comparing experimental tandem mass spectrometry data with standard protein and DNA databases. The application can automatically analyse a single spectrum or an entire LC/MS/MS peptide map. from Scientific Computing World website
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Inpharmatica launches GPCR SARfari |Jun 05|

Inpharmatica has launched GPCR SARfari, a database covering a group of receptors widely exploited in drug discovery. More than 40 per cent of the drugs on the market target these receptors and generate annual sales of more than $40bn.

The database covers many of the most important G protein-coupled receptors (GPCRs), and contains the chemical, natural ligand, structural, and biological information on all 297 human rhodopsin-like (non-olfactory) GPCRs. It also includes protein sequences, proprietary 3D-structures, corresponding natural ligands and over 60,000 drug-like compounds derived from StARLITe (Inpharmatica's proprietary database of medical chemistry and pharmacology). The resource is accessible over the web and is fully searchable by compound, protein sequence, and text. It is a component of PharmaCarta, Inpharmatica's gene-to-candidate technology platform that integrates biology- and chemistry-based drug discovery activities. from Scientific Computing World website
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GeneBio and Wiley to distribute proteomics portal |Jun 05|

Geneva Bioinformatics (GeneBio) and Wiley are to distribute e-Proxemis, GeneBio's web-based proteomics training portal. Wiley will be the exclusive sales agent outside Japan and make e-Proxemis available through its Wiley InterScience platform.

e-Proxemis is a development of Proxemis which, for the past three years, has involved a classroom setting for a week-long, proteomics-intensive tutorial. The web-based portal will allow the same content to be accessed by scholars at their own pace and on their own time.

The entry point for e-Proxemis depends upon the aim of the user -- a theoretical lesson about a bioinformatics resource, problem solving, in-depth learning, etc. - who is then guided through theoretical sections, real examples or practice. The content is divided into four sections: Resources, which are split between databases and tools; Case Studies, which depict a stepwise strategy for searching information using the various resources described; Scenarios, which are a series of case studies, reflecting real life examples of what scientists encounter in their research; and Practice, which includes a series of quizzes. e-Proxemis offers other features, notably a 'Personal Space' area where users can bookmark items for future perusal or add personal notes. from Scientific Computing World website
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Toolkit for optimising molecules |Jun 05|

OpenEye Scientific Software has released the Case Toolkit 1.0, an extensible programming library that provides generalised function optimisation in a wide array of coordinate spaces.

High-level functions provide a simple interface to powerful algorithms that handle the details of typical optimisations, such as structure refinement with the Merck Molecular Force Field. Low-level functions provide flexibility for dealing with arbitrary optimisers, functions, and coordinate frames.

Key features include: object-oriented, OEChempatible, C++ toolkit; optimisation algorithms (conjugate gradient, steepest decent, etc.); generalised gradient and non-gradient optimisers for any well-defined function; coordinate frames (Cartesian, internal, Z-matrix, torsion only, etc.); algorithms for protein active site minimisation and other template shape minimisations; constrained coordinates (fixed atoms or harmonic constraint potentials); potentials incorporated for MMFF94, MMFF94s and Sheffield salvation. from Scientific Computing World website
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Szybki yields structure |Jun 05|

OpenEye Scientific Software has also released Szybki 1.0 (pronounced shib'kee), which optimises molecular structures with the Merck Molecular Force Field, either with or without solvent effect, to yield 3D molecular structures. Szybki will also refine portions of a protein structure and optimise ligands within a protein's active site, making it useful in conjunction with docking programs.

Key features include: MMFF94 and MMFF94s energies or optimised geometries; solvent effects with Sheffield or Poisson-Boltzmann models for geometry optimisation and binding energies; ligands optimisation within the field of a protein active site; flexibility of protein active-site polar hydrogens or side-chains; and gradient minimisation in several coordinate frames (xyz, torsion only, etc.). from Scientific Computing World website
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Automated literature search tool for biology |Jun 05|

Agilent Technologies has released an automated literature search tool for biology, as a free plug-in to Cytoscape 2.1, an open-source bioinformatics platform that enables researchers to form a visual map of complex biological networks, increasing their understanding of molecular pathways and the biological causes of disease.

The Agilent literature search tool automatically searches for and extracts information from multiple textual databases, such as those of the US Patent Office and the National Center for Biotechnology Information (PubMed). The plug-in pulls information from these sources and represents it within Cytoscape as a map of the relationships between the biological entities, such as genes and proteins.

Researchers enter the names of all genes of interest, along with keywords that describe the types of relationships being looked for. The plug-in searches accessible databases and generates a representation of gene/protein associations grouped into a network that biologists can see and manipulate within Cytoscape. This includes a node represented by a geometric shape for each gene and protein, and links to indicate relationships. from Scientific Computing World website
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Automated image analysis |Jun 05|

Syngene, which manufactures image-analysis solutions, has introduced a new range of GeneGnome automated image analysers, designed for imaging chemiluminescent samples.

The new system comes complete with a 16-bit cooled camera inside a compact, light-tight cabinet, and a new white-light source for the added flexibility of imaging coloured markers. The camera is fully integrated to a processor and flat-screen monitor for easy viewing and offers fast and accurate molecular weight analysis.

Available in several versions, capable of imaging samples up to 17 x 15cm, the new range includes GeneTools, Syngene's image-analysis software. This can produce results -- including; 1D lane analysis, molecular weight and quantity calculations -- automatically in less than eight seconds. from Scientific Computing World website
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DAQ software for Linux and Mac |Jun 05|

With the release of the latest version of National Instruments DAQmx Base driver software, Linux and Mac OS X users now can develop applications with 80 data acquisition (DAQ) devices from National Instruments, including 26 new M Series multifunction DAQ devices.

Available for free download, DAQmx Base provides a subset of DAQmx functionality to Linux, Mac OS X, Windows, and Pocket PC operating systems. Engineers and scientists can use the concise programming tools for measurement, signal generation, digital I/O and counter/timer operations, while benefiting from tight integration with the NI LabVIEW graphical development environment.

M Series devices include the new STC 2 chip, which consolidates several discrete chips into a single ASIC for more performance in a smaller space, as well as new PGIA 2 amplifier technology that reduces settling time for accurate measurements at faster scanning rates.

National Instruments built the NI-DAQmx Base driver software using the NI Measurement Hardware DDK and developed the software almost entirely in the LabVIEW graphical development environment. from Scientific Computing World website
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Switching software simplifies setup |Jun 05|

Automated test engineers can significantly reduce switch system hardware setup time with the new National Instruments USB switch mainframes, which introduce plug-and-play switch control to the SCXI platform.

Engineers can use the new USB mainframes to take advantage of the high-performance, industry-standard USB port found on most PCs to control any SCXI switch. The four-slot USB switch mainframe includes an SCXI-1000 chassis, a USB adapter and a high-voltage analogue backplane (HVAB). For higher-channel-count applications, automated test engineers can take advantage of the 12-slot USB switch mainframe, which includes an SCXI-1001 chassis, a USB adapter and a HVAB.

The Switch Soft Front Panel software offers an interactive, graphical environment for troubleshooting, debugging or simplifying relay operations. Engineers can begin closing relays in their automated test applications in seconds. The software also provides an intuitive interface for viewing open and closed relays during application execution and clicking on specific relays for interactive troubleshooting and predictive maintenance.

National Instruments delivers a complete line of modular switch hardware based on PXI and SCXI, with more than 100 configurations for automated test, data acquisition and control systems. from Scientific Computing World website
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Extract the facts from scientific text |Jun 05|

Ariadne Genomics has launched MedScan Text-to-Knowledge Suite 2.0, a natural language processing tool for automated extraction of biological facts from scientific literature, MEDLINE abstracts, and other text sources.

MedScan uses dictionaries of protein and chemical names, together with text-parsing and pattern-matching algorithms developed for analysis of texts about biology. It extracts functional relationships between proteins, cell processes, and small molecules, recognises types of regulatory mechanisms involved, and the effects of regulation.

The new version is flexible in the way that it recognises entities and extracts information. It is now simpler to customise dictionaries, and extract new types of relationships by adding or editing linguistic patterns. Users can set up regular automatic processing of upcoming content for selected sources, and integrate MedScan with other bioinformatics tools. from Scientific Computing World website
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Chemistry in the palm of your hand |Jun 05|

Chemical Abstracts Service (CAS) has delivered chemical information, including structures, via live interaction using BlackBerry and other handheld devices, opening up the opportunity to retrieve hundreds of literature references as well as molecular structure and related data for specific substances in real time. CAS will be making this mobile route to scientific databases, called CAS Mobile, available through its STN and SciFinder services in the near future. Users will be able to retrieve and analyse information from CAS' principal databases, CAplus and CAS Registry. The Registry database contains records of more than 25 million organic and inorganic substances, including small molecules, and more than 56 million sequences. In addition, CAplus contains more than 23 million chemistry-related literature and patent references dating back to 1900. from Scientific Computing World website
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Agilent's one-box solution |Apr 05|

Agilent's data acquisition and switching solutions are based on industry-standard software and modular hardware designed to meet the current and future requirements of customers. The 34980A, a new switch from Agilent, and the 34970A, are ideal for design verification, automated test, and data acquisition, offering the flexibility to create accurate systems for customer's needs and budget.

Customers can choose between the 34970A three-slot mainframe and the 34980A eight-slot mainframe. Both have an integrated six-digit digital multimeter and a broad offering of plug-in modules to create small to high-density data acquisition and switching systems.

The high-density switching channels can route signals to the DMM universal inputs for measuring a variety of signal types including temperature, voltage, current, frequency and resistance.

The modular design of the 34980A and the 34970A is easily expandable and reconfigurable, offering customers broad functionality that does not sacrifice accuracy, at a modest cost. from Scientific Computing World website
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Quantum allows pre-production decisions |Apr 05|

ASI DataMyte's Quantum Data Collection Software lets users qualify part characteristics in pre-production mode, prior to moving to production mode. Collected information is presented on a control chart with two green zones on either side of the centre line, two yellow zones bordering the upper and lower limits, and two red zones indicating the out-of-spec areas.

All data is presented as a spreadsheet, with data cells for collected data, specifications and characteristic information. A red-yellow-green status indicator alerts operators to conditions such as out-of-spec, trending, and incomplete collection.

The document-launching facility allows users to open documents directly in the data-collection window. Document launching is activated by a drop-down menu selection or a function key.

If the software cannot communicate with the database, it automatically uses the local database cache to allow continued data collection and switching from one job to another. An 'auto re-try' feature re-establishes the database connection without user intervention.

Users can configure the screen presentation for each setup and station combination. This includes saving multiple charts on screen for viewing, showing graphics and sizing windows. The company is headquartered in Plymouth, Michigan, USA, with a European office in Hasselt, Belgium. from Scientific Computing World website
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USB dataloggers with Sys-Lab software |Apr 05|

DAQ Systems, based in Montana, USA, has introduced the DAQ24USB, the latest member of its family of 24-bit USB Java data loggers. When attached to a computer running Linux or Windows XP, the DAQ24USB provides a complete data acquisition system. It draws power from the USB and samples four 24-bit channels (with 8 software-programmable ranges) simultaneously at up to 1 kHz. Also on board are four 10-bit analogue and six digital auxiliary channels. It comes standard with DAQ-Sys-Lab, a full-featured GUI Java application, as well as Java and 'C' libraries for developers. The optional NetDAS upgrade package supports IP-networked and GPS time-stamped applications. The DAQ24USB costs $895 and includes an enclosure, USB cable and connection panel. from Scientific Computing World website
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Go with Econ |Apr 05|

Among the products offered by Data Translation is the ECONseries, a family of economical 'mini-instruments' for the USB bus that offer low price with high signal accuracy. This series is supported by a new application software package that ships with the boards called GO! The software is a ready-to-measure application that provides an instrument-panel interface requiring no programming. Signal connections are made directly to the module's built-in screw terminals and plug into any PC's USB port, without the need for an external power supply. The ECONseries modules are available in several configurations. Selections include the number of analogue and digital I/O channels, the resolution, and the signal range required by the user's application. Prices start at $149. Data Translation, headquartered in Massachusetts, USA, also provides the DT9834 family of high-performance data acquisition modules for USB 2.0. Offered in a number of flexible solutions, users can choose the number of analogue I/O channels, the analogue I/O resolution, and the packaging configuration that suits their applications. The DT9834-32 offers 32 analogue input channels running at 500 kHz on high-speed USB 2.0. Each board ships with DT-open layers device drivers, ready-to-measure applications, DT measure foundry evaluation, and more. from Scientific Computing World website
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Remote monitoring with Mini-Sat |Apr 05|

Remote monitoring with Mini-Sat Automata's Mini-Sat field station is an economical way of remotely monitoring or controlling agricultural or industrial sites where a moderate amount of communication is needed. The Mini-Sat can control gates or valves from the comfort of the internet. The user can be notified of any changes through email, phone, or the changes can be viewed on the internet. These units can be used in a network with single-user software such as Automata's Field Vision, or in a web server application. The Mini-Sat is perfect for agriculture, water distribution and remote industrial environmental sites. Automata's technology has made the Mini-Sat economical for solar sites. Only an unobstructed view of the sky is needed for communication. The user requires no infrastructure, base station or added software. Automata is based in Nevada City, California, USA. from Scientific Computing World website
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Taking data underwater |Apr 05|

C-Cubed, a company based in Hampshire, UK, offers a range of portable data acquisition products including the new, extremely rugged and waterproof Recon IP67 Pocket PC. C-Cubed is UK distributor of this full-spec Windows machine that literally works underwater.

In conjunction with its rugged Pocket PC, C-Cubed is offering the world's first compact flash data acquisition card, the Dataq-CF2, suitable for a wide range of handheld applications. These include a torque analyser, laboratory equipment controller, pH meter, vibration analyser and DVM. The Dataq-CF2 is also the basis of a new vibration analysis tool developed by C-Cubed that allows users to carry out full VA condition monitoring on a Pocket PC. from Scientific Computing World website
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Wireless data acquisition |Apr 05|

Wireless Oxidata is an advanced data acquisition system available from the Koehler Instrument Company, used to measure test data in real-time for fuel and lubricant ASTM oxidation tests. It features wireless PC communication at up to 150 ft (45m) using Bluetooth technology. The system includes wireless pressure transducers with a quick recharging battery pack that can be charged at any time, even during a test, without any data disruption. Up to 12 test samples and four temperature channels can be monitored simultaneously, with a graphical display of test results. Each channel can be independently configured and operated, with different stop/start times for any of the applicable ASTM standard test methods or a user-defined method, without compromising the other channels. The Oxidata software features an easy-to-navigate operation, and simplifies the testing process by providing sequential test prompts for assisting the operator with each step of the test procedure.

An integrated database can be used to track sample performance, take averages of sample end-point and take standard deviations of samples stored. The auto-save feature allows data to be recovered in case of power loss. Final test data can be exported with graphs and test parameters, either directly to Excel, in ASCII file format for use with LIMS or any other spreadsheet program, or directly to a printer with a test report according to ISO guidelines. from Scientific Computing World website
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PC oscilloscope software |Apr 05|

Canadian company Gage Applied Technologies has produced GageScope, a solutions-oriented software package that brings together the paradigms of computing and instrumentation without requiring the user to be a programmer. GageScope is powerful and easy to use, while increasing engineering productivity and the sharing of valuable data.

In addition, future growth of this software package is virtually unlimited with new analysis and presentation features becoming available. With a Windows-based user interface, GageScope allows complete control of CompuScope cards for analogue signal capture. Data can be displayed, analysed, printed and saved all from within the same operating environment.

Features include: no programming required; the ability to capture, display and generate up to 60 channels; the acquisition, display, storage and analysis of datasets of up to 2 gigabytes; quick data transfer to analysis packages such as Matlab, Mathcad, and LabView. Other features include FFT analysis, waveform parameters, averaging, autosave, and extended math. from Scientific Computing World website
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Nexxis connects instruments throughout the lab |Apr 05|

NEXXIS, from Labtronics Inc, uses a laboratory's existing network infrastructure to connect instruments to the NEXXIS server. The connection can be made either with a direct serial connection or through the serial port on a networked PC using NEXXIS serial to TCP/IP conversion software or through a hardware-based serial to TCP/IP converter. All communications with the instrument, including sending commands and collecting data, are carried out directly between the instrument and the server.

NEXXIS includes the Labtronics Instrument Library, a database containing setup information for over 400 laboratory instruments. By using the Instrument Library, connecting an instrument with NEXXIS is as easy as selecting the appropriate device from the listing in the Instrument Library and identifying the COM port that it is connected to.

The Nexxis platform provides a scripting tool that can be used to automate the lab procedures and control the data collection process. from Scientific Computing World website
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Acqiris offers 10-bit digitisers with single-channel sampling |Apr 05|

Acqiris, a manufacturer of data conversion instruments, has introduced three new digitiser products with high-speed performance. The DC282, DC252 and DC222 PXI/CompactPCI digitisers offer a choice of front-end input mezzanines providing up to 3 GHz input bandwidth or switchable high impedance input coupling. This front-end flexibility, coupled with unprecedented data conversion performance of single-channel 10-bit sampling rates of up to 8 GS/s, makes these platforms ideal for implementation in a wide range of applications such as high-resolution radar, lidar and ultrasound, as well as in semiconductor test and large-scale physics research experiments. Measurement Systems Ltd is the UK distributor for Acqiris. from Scientific Computing World website
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Snap into data acquisition |Apr 05|

Snap-Master, from the HEM Data Corporation, is a graphical software package that allows the user to start acquiring data within minutes of installing I/O hardware from Measurement Computing, Keithley, Dataq, National Instruments and IOtech. Snap-Master is designed for users who do not want to do any programming. It emulates standard test instruments, such as a digital oscilloscope, data acquisition system, X-Y plotter, stripchart, multi-meter, waveform analyser and frequency spectrum analyser.

In addition to the data acquisition module, the user has the option of adding the waveform analysis and the frequency analysis modules for real-time analysis as well as post processing. Display types include: Y-T, X-Y, stripchart, and meters (digital, analogue, bar) as well as cursors, markers and zoom. Snap-Master works with Windows XP/2000/NT/98/Me. from Scientific Computing World website
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Interactive design and implementation of digital filters with LabView |Apr 05|

National Instruments' LabView Digital Filter Design Toolkit Version 7.5 includes tools for modelling and creating software-based digital filters as well as FPGA and C code generation capabilities for chip-level implementation. With the toolkit, design and test engineers now can use LabView's graphical development environment to ensure a seamless digital filter design process from conception to completion while reducing development costs. In addition, professors can use the toolkit to demonstrate key filter design concepts to undergraduate and graduate engineering students.

The new Toolkit, based on LabView Express technology, allows engineers to design custom floating- or fixed-point filters for tasks such as noise reduction, signal extraction, anti-aliasing and re-sampling. The toolkit includes four new Express VIs for interactive configuration and offers a wide range of standard digital filter design algorithms for fine-tuning specifications.

In addition, engineers without significant signal processing experience can access nearly 80 example VIs to help them get started quickly and easily. The toolkit also features state-of-the-art algorithms such as the Remez exchange method and the least Pth norm method for advanced applications, telecommunications and electronics design. from Scientific Computing World website
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RS232 direct into any Windows application |Apr 05|

WinWedge, from TALtech, is easy to use data-collection software designed for interfacing RS232 and TCP/IP devices directly into Excel, Access, LIMS, MMIs, statistical software, any Windows application, or any ASCII file format.

WinWedge inputs real-time data from laboratory instruments, balances, meters, analysers, gauges, sensors, bar code scanners, GPS receivers and other serial output devices, to any Windows application.

WinWedge can be used to perform real-time analysis, charting, and graphing of users' device data in your PC applications. Different instruments can simultaneously send data to different applications or to different 'fields' within the same application. The Pro version of WinWedge also supports TCP/IP data collection and RS232 to TCP/IP conversion software. As with all TALtech software, WinWedge comes with free and unlimited technical support, and a risk-free, 90-day money-back guarantee. from Scientific Computing World website
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Ethernet-based strain gauge measurement system |Apr 05|

New to IOtech's family of high-speed, compact, portable, PC-based data acquisition systems is the StrainBook/616. The system connects to a PC's Ethernet port and is powered via the included AC adaptor, or for portable applications, from an optional rechargeable battery. The unit can be powered directly from any 9 to 30 VDC source, such as an automotive battery.

The StrainBook is housed in a rugged metal package with an integrated carrying handle. Its form factor is ideal for setting under a notebook PC, which provides all of the user I/O and data storage. Expansion options attach directly to the StrainBook with included mounting hardware, making it simple to assemble a compact and portable system that fits nicely on the seat of an automobile or on the test bench. from Scientific Computing World website
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Non-programmers can create applications without coding |Apr 05|

SoftWIRE, from the Measurement Computing Corporation, is a graphical programming extension to Microsoft's Visual Studio.NET that enables non-programmers to create powerful applications without writing any code. SoftWIRE applications are built using an intuitive 'icon and wire' graphical interface, in which control icons representing data gathering and processing, logic, and other functions are wired together into a 'flow chart' diagram of the application.

The flagship domain-specific application for SoftWIRE is data acquisition. With SoftWIRE, scientists, students, technicians and novice-level or non-programmers can create .NET-based applications. For example, acquiring and storing eight channels of temperature data at a timed interval, displaying the data in real-time, and saving the data to an Excel file for reporting requires only a five-icon and four-wire 'flow-chart'. A complete logging application can be created in less than 15 minutes, with no training or programming.

SoftWIRE has more than 225 .NET-compatible controls for creating measurement and automation applications. from Scientific Computing World website
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Multi-tasking data acquisition director |Apr 05|

KineticSystems' DAQ Director is a pre-packaged data acquisition software that runs under Windows NT. It uses VXI hardware to acquire the data, and LabView software to provide the operator interface and data analysis. Absolutely no programming is required to use a DAQ Director-based system.

With the additional purchase of the full LabView development package, users can create a custom system. Also, KineticSystems' own programming staff can create a custom system. In addition to using LabView, the company can provide custom systems that use other applications such as LabWindows/CVI or Visual Basic for display and analysis.

In addition, KineticSystems' VersaDAQ software is a fully featured, multi-tasking software that allows users to stream and record up to 64 channels of digitised analogue data. VersaDAQ requires no additional programming and allows users to quickly and accurately set up specific test and measurement scenarios. With a few mouse clicks, unlimited real-time displays can view individual or large groups of channels. VersaDAQ Viewer and converter enable users to view and analyse stored data as well as convert raw data into popular tab-delimited file formats.

VersaDAQ software is compatible with all KineticSystems' portable data acquisition systems and allows users full programmability and flexibility in determining how data is to be recorded and stored. from Scientific Computing World website
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USB portable DAQ system for sensor and high-voltage measurements |Apr 05|

National Instruments has recently announced two new versions of its DAQPad-6015, a plug-and-play, multifunction data acquisition device for USB. Engineers and scientists can use the company's SCC signal conditioning devices with the new DAQPad-6015 mass termination version to measure a wide range of sensor and high-voltage signals up to 100 VDC. NI SCC signal conditioning carriers fit neatly on top of the DAQPad-6015 to create a portable, customisable data acquisition system with up to 300 V Cat II isolation per module.

Because the DAQPad-6015 connects to SCC signal conditioning carriers such as the SC-2345 and SC-2350 modules for transducer electronic data sheets (TEDS), engineers can reduce system setup time by taking advantage of USB plug-and-play features and smart sensor technology. Engineers can use the SCC carriers to select their sensor or signal conditioning types, as well as their direct connectivity types, on a per-channel basis.

The combined DAQPad-6015 and SCC system is ideal for applications requiring a laptop for portability, because it connects easily via USB to any laptop and provides a broad range of measurements in the field. For example, vehicle and machine diagnostic applications or biomedical environments often require portable measurement systems that engineers can transport directly to where they are conducting tests. from Scientific Computing World website
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Continuous flow analysed |Apr 05|

Labtronics has released its New Analyzer Program (NAP) version 4.2.2 for Technicon AAIIs, Alpkem RFAs or any continuous flow analyser with a 0-5 volt analogue output. The software analyses output in continuous-flow colorimetric applications, increasing sample throughput and accuracy over conventional methods. Peaks are marked based on user-defined settings, marking special peaks and flagged samples on the graph for easy viewing and zoom-in real-time editing. Results are calculated based against 1st, 2nd or 3rd-order standard curves. QC Charting allows for results to be output to any network printer, ASCII text file in any format, or Excel template, for further analysis.

Capable of interfacing up to six detectors simultaneously through its external USB analogue-to-digital data acquisition box, NAP v 4.2.2 greatly improves the efficiency of laboratories running continuous flow instruments. from Scientific Computing World website
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BalanceTalk XL version 5.1 |Apr 05|

The BalanceTalk XL software from Labtronics integrates serial output such as RS232 and TCP/IP capable instruments directly with Excel, eliminating data entry and errors while significantly improving sample and test throughput. The software contains a library of pre-configured interfaces supporting more than 400 instrument models including balances, pH/ISE/conductivity meters, density meters, force/stress gauges, and spectrophotometers, for simplified setup.

Because the interface does not rely on the cursor, the software supports numerous interfaces to a single computer and same Excel file simultaneously, while allowing users to work in other programs while data collection is active.

The software has been enhanced to meet application and instrument specific requirements such as: a new 'time and date stamp' macro; 'place data' feature; and 'filter and discard data' to handle erroneous instrument outputs. from Scientific Computing World website
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Multiple measurements from multimeter |Apr 05|

Engineers now can accurately measure from picoamps to kilovolts with the new National Instruments PXI-4071 FlexDMM - a multifunction device that features a seven-digit (26 bits) digital multimeter and an 1.8 MS/s isolated digitiser.

The device offers fast, accurate voltage measurements from ?10 nV to ?1000 V and resistance measurements from 10 ?Ohm to 5 GOhm. It also uses a solid-state current shunt configuration that offers eight DC current ranges from 1 ?A to 3 A and 6 AC rms current ranges from 100 ?A to 3 A. This capability gives engineers the flexibility, resolution, functionality and isolation required for challenging applications such as fuel cell testing, leakage measurements, IV curve tracing and data converter linearity testing.

Using LabView with the FlexDMM, engineers can analyse transients, fly-back signals or other aperiodic high-voltage AC waveforms in both the time and frequency domains. The device includes NI-DMM driver software for NI LabView and LabWindows/CVI, and Microsoft Visual Studio .NET. Priced from $2,495. from Scientific Computing World website
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NAG extends its Fortran library |Apr 05|

The latest version of the NAG Numerical Library, Mark 21, now has more than 1,500 routines, including more than 300 new functions. The company now claims that it has the largest collection of quality numerical algorithms available today. The 1,500 routines in the NAG Library cover the world's most widely used numerical and statistical algorithms.

New functions include a complete chapter covering mesh generation that incorporates routines for generating 2-D meshes, together with a number of associated utility routines. Extensions have been included in the areas of zeros of polynomials, partial differential equations, eigenvalue problems (LAPACK), sparse linear algebra, and a significant expansion of the G05 (random number generation) function. This includes a new random number generator, the generation of univariate GARCH, asymmetric GARCH and EGARCH processes, quasi-random number generators and generators for further distributors.

Components can be used on their own or incorporated into other packages. Software partners including AMD, PeopleSoft and Waterloo Maple all embed NAG functionality into their own packages. from Scientific Computing World website
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Technical numerical software libraries for OpenPower |Apr 05|

OptimaNumerics has released its numerical software libraries for the IBM eServer OpenPower system.

The libraries, with linear algebra, parallel linear algebra and parallel random number generator modules, provide high performance versions of LAPACK, ScaLAPACK, PETSc, SPRNG and PLFG libraries. Other platforms supported include the Intel Xeon, Xeon EM64T and Itanium processor families, the AMD Opteron, IBM PowerPC970, HP PA-RISC, HP Alpha and Sun UltraSPARC architectures. from Scientific Computing World website
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Ansoft Enhances Maxwell for students |Apr 05|

Ansoft has enhanced its Maxwell simulation software, which allows professionals and students to design and study electromechanical devices, by adding to its existing line of SV (student version) software.

Maxwell SV is a free, downloadable subset of Maxwell 2D, Ansoft's commercial electromagnetic-field simulation software for the design of electromagnetic and electromechanical devices. The software is ideal for engineering students studying topics such as electromechanical component, power-electronic and mechatronic design.

It includes: 2D electric field solver; 2D DC magnetic solver; 2D AC magnetic solver; and enhanced post-processing. from Scientific Computing World website
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Fixed-point toolbox for Matlab |Apr 05|

The MathWorks has brought fixed-point design capabilities to Matlab and enhanced fixed-point simulation in Simulink. Together, the Fixed-Point Toolbox and Simulink Fixed Point enable engineers to eliminate creating and debugging fixed-point designs in C.

The Fixed-Point Toolbox provides a way to develop, prototype, and verify fixed-point algorithms and system components using standard Matlab notation. Simulink Fixed Point (previously known as the Fixed-Point Blockset) brings fixed-point capabilities to the Simulink product family, including Simulink, the Signal Processing Blockset, the Video and Image Processing Blockset, and Stateflow. Using Simulink Fixed Point, engineers can control fixed-point data types and scaling, identify overflow and saturation errors, and observe finite word effects on dynamic range and precision without modifying the original system model. US list prices start at $1,000 each. from Scientific Computing World website
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Simulink verification and validation |Apr 05|

The MathWorks has produced Simulink Verification and Validation that enables system designers and test engineers to perform continuous testing and verification throughout the development process and to use Model-Based Design to produce a validated executable specification.

Through formal testing of systems and algorithms during the modelling and simulation phase, errors can be identified earlier, when they are easier and less costly to fix.

The new software simplifies system development workflow by allowing users to rapidly link requirements to designs and test cases and perform coverage analysis on Simulink models. Designs can be validated earlier in the development process by identifying inadequate requirements and exposing unnecessary constructs and design flaws at the model level. This capability is especially important as the complexity of designs increases and engineers are required to use more formal testing and documentation methods, which are crucial in safety-critical applications.

It also allows engineers to link their requirements to formal 'requirements management systems' such as Telelogic's DOORS, or to Word, Excel, or HTML files, and then navigate back and forth between the requirements and model. Prices start at £850. from Scientific Computing World website
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GenStat 8 released |Apr 05|

VSN International has released the 8th Edition of GenStat for Windows (see page 24 for review). The new release offers powerful additions to its range of statistical techniques together with an abundance of usability enhancements such as formatted output, micro array menus, sample sizing, customisable menus, Co-kriging, and interactive feedback.

Originally developed at the Rothamsted experimental station, GenStat has been at the cutting edge of statistical analysis for more than 30 years. GenStat for Windows 8th Edition includes a number of significant enhancements, many of which will be particularly beneficial to researchers, scientists and educators working in a wide range of scientific disciplines. from Scientific Computing World website
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Uniphiz Lab: FindGraph 1.43 |Apr 05|

FindGraph 1.43 is a graphing, digitising, curve fitting, and analysis application for professionals who use graphing software.

The program's library has more than 200 graph formulas, both common and rare. It can build graphs from various data sources - ASCII files, Excel and Excel-like spreadsheets, and digitised screen charts. It offers 10 generic curve fits (linear regression, logistic functions, Fourier approximation, neural networks, etc.), plus a set of 120 industry-specific formulas. The program can import graphs from virtually anywhere - a webpage, a text document or an image. from Scientific Computing World website
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Polyhedral fluid dynamics is faster by far |Apr 05|

CD-adapco, a provider of full-spectrum and CAD-embedded computational fluid dynamics (CFD), has announced the release of the first fully integrated process for polyhedral CFD. The Star-CCM+ box set combines the company's Star-CCM+ solver with Star-Design, which includes the polyhedral mesher.

Star-Design, a parametric solid modeller, allows polyhedral meshes to be created at the click of a button. Based on the same Parasolid kernel that powers many leading CAD packages, polyhedral meshes can be easily generated from created (or imported) CAD geometry.

Polyhedral meshes offer near hexahedral accuracy with all of the automatic meshing benefits of tetrahedra. Polyhedral CFD delivers more accurate solutions, using fewer cells and reduced human and computing resources. from Scientific Computing World website
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Admensa predicts ADME |Apr 05|

Inpharmatica has launched Admensa Interactive, its in-silico suite of predictive drug absorption, distribution, metabolism and excretion (ADME) models and compound prioritisation tools.

Inpharmatica has a suite of ADME products and services. The in silico component is now available for on-site installation as Admensa Interactive.

The desk-top interface can access extensive libraries of structures and compare individual project compounds. Users can manipulate individual compound structures, in real-time, for individual ADME properties or overall compound quality. The suite additionally includes unique regio-selectivity technology to predict the points of metabolic attack on chemical compounds by major P450 metabolism enzymes.

Admensa Interactive is an integral component of PharmaCarta, Inpharmatica's gene-to-candidate technology platform, which integrates biology- and chemistry-based drug discovery activities. PharmaCarta optimises target selection based on drug-ability, enables rapid identification of hits and leads and selection of high-quality late-stage leads and pre-clinical candidates, which are prioritised on the basis of good drug-like characteristics. from Scientific Computing World website
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Eight new ADME/Tox databases |Apr 05|

Bio-Rad Laboratories has released eight databases containing measured ADME/Tox properties for a broad range of chemical compounds, including: bioavailability; blood-brain barrier permeability; carcinogenic potency; toxicity; carcinogenicity of water disinfection by-products; oestrogen receptor binding; mutagenicity; and water solubility. These databases are the result of internal literature research and external collaboration.

These new ADME/Tox data collections are useful to those involved in drug discovery, allowing them to benchmark their own experiments against this data, validate the accuracy of predictive ADME/Tox models, or build new models using this experimental data as a training set for their models.

These databases are part of Bio-Rad's KnowItAll Informatics System, offering a complete suite of tools for the computer-based prediction of a potential drug's ADME/Tox profile, including global predictive models, applications to build and validate models, experimental ADME/Tox data, and integrated tools for chemical structure handling, data management, and reporting. from Scientific Computing World website
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High resolution image analyser |Apr 05|

Syngene, which manufactures image analysis solutions, has released its new ChemiGeniusXE 3 multi-purpose image analysis system, for laboratories that need a system for rapidly imaging chemiluminescent, UV and white light based applications. The ChemiGeniusXE 3 system includes two copies of Syngene's intuitive, one-click GeneTools analysis software. This automates applications such as 1-D lane analysis, Rf/molecular weight calculations, band matching and multi-layer gel analysis.

Inside a computer-controlled darkroom with auto-lock sliding doors, the ChemiGeniusXE 3 uses a 3.2 million pixel resolution, 16 bit CCD camera for unrivalled separation of images with close bands or spots. The camera, offering 90 per cent quantum efficiency, can detect a range of coloured dyes, and guarantees the most accurate sample quantification. from Scientific Computing World website
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TotalLab now Mac compatible |Apr 05|

TotalLab, from Nonlinear Dynamics, is now compatible with the Apple Mac, by using Virtual PC for Mac v7.0.

TotalLab provides automated, quantitative analysis of images from a wide range of biological samples. The core component is the comprehensive 1-D analysis module, for analysis of 1-D gel electrophoresis images. Highly sophisticated algorithms enable single-click identification of lanes and bands, followed by accurate calculation of molecular weights and band quantities. TotalLab also includes three additional modules, for the quantitative analysis of arrays, colonies and a toolbox for general image analysis. from Scientific Computing World website
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Shape and electrostatics screen compounds |Apr 05|

OpenEye Scientific Software has released ROCS 2.1 and EON 1.1. These products screen databases of molecules for shape and electrostatic similarity to a lead compound and thereby facilitate lead generation and library design for drug discovery.

ROCS aligns molecules and compares their 3D shapes; EON compares electrostatic potential fields throughout space around molecules. Both programs determine Tanimoto and Tversky measures as rigorous metrics for the comparisons, so that a database can be quickly sorted by similarity to the query compound.

Key new features in ROCS 2.1 and EON 1.1 include: support for CCP4 and XPLOR map files as grid queries; new chemically aware colour force-fields for donor, acceptor, anion, cation, rings and hydrophobic groups; more efficient scaling to large numbers of processors; and improved workflow between ROCS and EON. from Scientific Computing World website
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Lion extends SRS |Apr 05|

Lion bioscience has released SRS 8.1. This version has been enhanced with a redesigned search interface and new related information browser (RIB), which automatically links search results in SRS to related information. SRS provides integrated access to all life science data, bringing together the different disciplines in R&D, and allowing scientists to make faster and more accurate decisions in drug discovery.

Enhancements include: a revised user-interface for searching, which enables users with various levels of expertise to search public and in-house life science data; a related information browser (RIB), which eliminates the need for a researcher to understand the complex relationships and network of life science data; enabling the use of synonyms to allow queries to be easily formed, which helps ensure more complete coverage of a search, hence extracting the maximum value from the available data; support for several additional databases, including Xennex and BIOBASE products; and the ability to share results with other researchers in PDF format. from Scientific Computing World website
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Better protein identification from GeneBio |Apr 05|

Geneva Bioinformatics (GeneBio) has released the latest version of Phenyx, its protein identification platform. This release incorporates the mzData standard and improves the results comparison functionality for all versions of Phenyx.

Phenyx's recently augmented results comparison functionality permits researchers to generate a table of side-by-side results, allowing them to seamlessly compare and validate results for similar jobs (such as in the case of replicates or if the same data is set with varying parameters). Additionally, researchers can import results from other major software packages, such as Mascot and SEQUEST, in order to cross-validate or consolidate their identification results through the complementary use of several software packages. from Scientific Computing World website
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KnowItAll system extended |Apr 05|

Bio-Rad Laboratories has released Version 5.0 of its KnowItAll Informatics System, enabling users to define searches in multiple spectral techniques concurrently in a single software platform - even across multiple databases - and view consolidated results.

Searches may include substructures, properties, and a variety of experimental spectra, including NMR, MS, IR, and Raman. The system also provides additional visualisation and data mining tools that simplify results, along with search tools to weight the importance of each data input and define how it factors into the final result.

The company has also extended its 'Powered by KnowItAll' programme to analytical chemistry and spectroscopy, allowing analytical instrument companies to deliver fully customised solutions based on a combination of KnowItAll products. The system has software and database tools that encompass the areas of spectroscopy, chemistry, and in silico ADME/Tox profiling. It can be compiled in multiple combinations of software applications and/or database formulations, enabling customers to create and tailor their own toolsets from more than 20 standard applications (including structure drawing, reporting, analysis, data management, and data mining), instrumentation integration, and custom interface options. from Scientific Computing World website
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ChemTree now on Mac |Apr 05|

Golden Helix has released ChemTree v4.0 for Mac OS X. Based on recursive partitioning, ChemTree allows the cheminformatics scientist to: reduce clinical failures through better discovery; weed out failures before they enter clinical trials by optimising efficacy, safety and ADMET earlier; reduce attrition rate of compounds in later stages of the pipeline using multivariate recursive partitioning to optimise for efficacy, safety and ADME simultaneously. The software also saves time and resources by prioritising what to screen next: providing 10-to-100 fold hit rate increases on compounds cherry-picked from 3rd party vendors, combinatorial libraries, and internal compound collections; generating nanomolar concentration leads with the sequential screening process; maximising hit rates through focused combinatorial synthesis; and uncovering QSAR relationships to accelerate lead optimisation. from Scientific Computing World website
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New LIMS for soil metabolism studies |Apr 05|

LabLogic Systems has introduced an off-the-shelf LIMS for soil metabolism studies in the environmental and agrochemical industries. A 32-bit Windows-based application running on an Oracle client/server platform and fully compliant with CFR Part 11 and GLP, Sara is an extension of the company's Debra LIMS for drug metabolism studies.

Amongst the facilities are: system configuration; pre- study analysis of moisture content; dispensing of test systems in accordance with soil dry equivalent weight; and measurement of water-handling capacity. from Scientific Computing World website
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Link Cerity to LIMS |Apr 05|

Labtronics and Agilent Technologies have produced a secure, bi-directional LimsLinkCDS interface that connects Agilent Cerity for Pharmaceutical QA/QC with any Laboratory Information Management System (LIMS). The interface enables users to communicate and transfer data between the Cerity chromatography data system (CDS) and any LIMS efficiently, securely, and in accordance with the US Food and Drug Administration's ruling on electronic records and signatures (21 CFR Part 11). from Scientific Computing World website
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Sample Master enhanced |Apr 05|

Accelerated Technology Laboratories (ATL) has enhanced its Sample Master Version 8.0 laboratory information management system (LIMS), to feature tighter integration with Northwest Analytical's (NWA) Quality Analyst software.

NWA specialises in providing SPC charting and analysis software for a wide variety of industries, enabling a better understanding of processes, enhancing productivity and quality. NWA's flagship product, Quality Analyst, is award-winning SPC charting and analysis software that provides users with a powerful, flexible, and easy-to-use statistical package. from Scientific Computing World website
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Remote access to LabWorks |Apr 05|

PerkinElmer has produced a remote access, web-based module called Online Administrator for its LabWorks ES LIMS. Customers with browser-based access will now be able to view test information, results and reports securely and in a timely fashion.

Co-developed with ESI Services, an IT services firm based in Tallahassee, Florida, this new functionality allows real-time access to reliable results. The new functionality eliminates dependence on paper-based processes by allowing customers to view and print current and historical reports in Adobe PDF, view lists of submitted samples and test statuses, and display raw data from those test results. from Scientific Computing World website
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Empower CDS integrates more tightly |Apr 05|

Waters has introduced version 2 of its Empower chromatography data management software.

Customers now have features for: tighter integration with other members of Waters Laboratory Informatics Suite, such as Waters NuGenesis SDMS (Scientific Data Management System) and Waters eLab Notebook; enhanced single window interface allowing for complete instrument control to collect, process, customise and print chromatography data; better tools to manage system availability and solvent consumption; and robust and comprehensive capabilities for greater granularity and flexibility for audit trail requirements. from Scientific Computing World website
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Enhancements to SDMS |Apr 05|

Waters Corporation has announced a new major release to its electronic information management platform, Waters NuGenesis SDMS (Scientific Data Management System) 7.0.

SDMS 7.0 now supports Lightweight Directory Access Protocol (LDAP) and new Help Desk and service management features for enhanced enterprise deployment and management. IT organisations can now implement a single sign-on and support strategy to maintain security, while assigning end-users only one ID and password. from Scientific Computing World website
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Microarray data visualisation |Apr 05|

Agilent Technologies has introduced its Human Genome CGH Microarray and CGH Analytics software to help cancer biologists and cytogeneticists study genomic alterations in cancer. Comparative genomic hybridisation (CGH) is used to study the chromosomal changes that frequently occur in cancer cells, including the loss or duplication of regions of chromosomal DNA.

Agilent's CGH Analytics software provides a visual environment for exploring array-CGH data. It uses information visualisation theory to provide: simultaneous visualisation of multiple CGH microarray profiles; user-selectable calibration for comparison of profiles; statistical measures to detect aberrant regions; plug-ins for determining optimum intervals of statistical aberrations from single or multiple samples; simultaneous chromosome plotting at multiple zoom levels; pre-loaded gene annotation information from the most recent genome builds; and also, text and graphical aberration summary reports, exportable for publications and presentations. from Scientific Computing World website
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On the spot visual data analysis and decision |Apr 05|

Spotfire has introduction DecisionSite 8.1, the latest version of its visual data analytics platform. The new version offers faster, more flexible data access; enhanced data analysis, expanded results-sharing capabilities, and improved security and administration.

Sharing results will be easier as a result of a significant upgrade to the web-based analysis and communication component, DecisionSite Posters, which allows researchers to share results -- from gene expression dendograms to drug safety signal detection -- in one online application that now supports heat maps, bar charts, pie charts, trellising and text search.

DecisionSite 8.1 supports dynamic curve fitting in individual or trellised scatter plots using linear, polynomial, power, logarithmic, exponential, and basic IC50 curves. Pivoting data is faster, and supports analysing very large data sets. Column names are easily configured to meet naming conventions. from Scientific Computing World website
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Giving expression to more data |Apr 05|

Genedata has released a new version of its Expressionist software, which supports biomarker discovery and in silico prediction. The release integrates metabol-omic, proteomic and transcriptomic data in one platform.

Biological data analysis and interpretation is supported through extensive functional annotation and the integration of in silico tools for analysing metabolic and signal transduction pathways. A new tool enables prediction of partial aneuploidy and deletions, information that is highly relevant for specific types of cancer.

Expressionist now covers the entire workflow, from sample tracking to analysis and decision support. from Scientific Computing World website
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Semichem offers semi-empirical computations |Feb 05|

Semichem specialises in semi-empirical computational chemistry, represented in particular by AMPAC. This fully-featured semi-empirical quantum mechanical program includes a graphical user interface to build molecules and offer full visualisation of results. AMPAC is designed for stand-alone use as a structure or information engine, or as an information source for high-throughput screening.

Semichem also offers CODESSA, a quantitative structure/activity relationship (QSAR) program that correlates information from AMPAC and other QM programs with experimental data. CODESSA and AMPAC have successfully predicted such macroscopic chemical properties as gas chromatography retention indices, polymer glass transition temperatures, critical micelle concentration, toxicity, boiling/melting points, and flash points.
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Eyes open for shape and electrostatic analysis |Feb 05|

OpenEye Scientific Software develops molecular modelling software for computational drug discovery and design. Applications include: structure and charge generation; docking; shape and electrostatics similarity analysis; chemical informatics and visualisation. The technology is also available as toolkits for custom and third-party software development.

Among its products, ROCS and EON facilitate lead generation and library design in drug discovery via shape and electrostatics similarity analysis, respectively. Screens of corporate databases have successfully rescued hits missed by HTS and suggested leads for patent avoidance. In recent work, shape and electrostatics were shown to be important variables in discriminating classes of active and inactive compounds for COX2, progesterone, dopamine, and the calcium ion channel.
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Materials studio models from Accelrys |Feb 05|

Accelrys offers modelling software spanning chemistry, materials science, and biology. Recent releases include MS Modeling 3.1, the latest version of the Materials Studio modelling environment for chemicals, materials, and nanotechnology research.

There are new products that: predict NMR data for any material, enabling characterization of molecular-level structure; quickly screen potential polymers and copolymer blends, seeking desired properties; predict the bulk shape of crystals, assisting improved control of processing; and offer advanced simulation of molecules, surfaces, and solids. MS Modeling now offers solutions for catalysis, solid-state chemistry and physics, polymers, and crystallization.
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Ask the Sybyl from Tripos |Feb 05|

The latest version of Tripos' expert molecular modelling environment for drug discovery research, Sybyl 7.0, is available on multiple platforms and includes a Linux operating system upgrade, Red Hat Enterprise Linux 3.0.

The software supports mobile computing requirements for computational chemists with its expanded software licensing capabilities for laptop computers. New 'borrowable' Sybyl licences allow laptop users to disconnect a set of licences from their network server.

Sybyl/Base includes tools for molecular modelling: structure building, optimisation, and comparison; visualisation of structures and associated data; annotation, hardcopy and screen capture capabilities.
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Silk coverts graphs to data |Feb 05|

Silk Scientific's software 'Un-Scan-It' version 6.0 automatically converts scanned graphs to (x,y) data using a drag-and-drop interface, coloured data-line follower, improved grid-line filters, and a graphical (x,y) data eraser. It works with any scanner or image input device, and can be used to digitise journal graphs, strip chart output, old graphs, or any other hard-copy graph. The software can also integrate peak areas, smooth data, take derivatives, enhance data resolution, edit and append data, re-scale graphs, and store data in ASCII format for use in other software packages. A Macintosh version and a version for digitising electro-phoresis gels, are also available.

Un-Scan-Itgel version 5.1 turns a scanner into a densitometer/digitiser that converts scanned gels and graphs into digital data. It works with any scanner or image-input device, to determine band densities, band locations, molecular weight values, (x,y) point locations, peak heights, and other parameters.
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ChemScribe converts data to text |Feb 05|

Organic chemists wishing to publish their research have to transcribe their analytical data into text reports. By far the most difficult part is transcribing NMR spectral data. Traditional methods involved an awkward combination of 'peak-picked' spectra, a calculator, and a word-processor. Recently, other electronic methods have emerged.

Attempting to make this task completely electronic makes it unnecessarily difficult. The core of the Data Transcriber technology, from the US company ChemScribe Technologies, combines an on- screen application with an oversized, high-resolution stacked plot of an NMR spectrum located on the surface of a digitiser. Advantages include: an easily annotatable work surface; a larger and high resolution representation of the spectral data that permanently displays the entire data set, eliminating the need to resize windows and reorient to new visual content; easier visual navigation between expanded regions of the spectrum, full spectrum, and other required visual elements of the user interface; and fast transitions into transcribing other forms of analytical data.
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Elsevier MDL opens gate to discovery |Feb 05|

MDL Isentris streamlines the storage, integration, and retrieval of chemistry and biology data. It has applications for integrated access to chemical and biology data, managing experiments, capturing data, procurement, inventory management and analysis.

Its four main components are:

  • MDL Base, the user interface, and MDL Draw, the chemical drawing and rendering software. These are desktop clients for accessing and managing scientific data; they offer application developers an API for application building, extension and integration.
  • MDL Core Interface provides the unifying logic and data integration for all Isentris applications.
  • MDL Direct, chemical data cartridge technology, gives support for storing, searching, and retrieving molecules and reactions in Oracle databases.

DiscoveryGate integrates, indexes, and links scientific information to give access to compounds and related data, reactions, original journal articles and patents, and authoritative reference works on synthetic methodologies. It is structure-searchable and is sourced from more than 20,000 journals, all MDL databases, and features more than 14 million structures and 10 million reactions with 250 million associated facts. It also offers access to the Derwent World Patents Index.

MDL Patent Chemistry Database indexes chemical reactions, substances and related information from organic chemistry and life-sciences patent publications since 1976. Updated every two weeks, it makes text and Markush structures/reactions (from December 2003) easy-to-view from the desktop. MDL CrossFire Commander and DiscoveryGate permit structure, reaction and text searches.

xPharm is an online database (hosted on DiscoveryGate) of pharmacological information, linking agents (compounds), targets, disorders, and principles hierarchically to provide general overviews or specific information depending on users' prior knowledge.

Assay Explorer captures, analyses, and stores experimental results within Oracle. Its open Application Programming Interface and flexible data model allow biologists to capture results and methodology, and IT departments to add extensions and customise the software to their company's own workflow.

Crossfire Beilstein, the world's largest chemical facts database, contains more than eight million compounds and nine million preparations of organic compounds. Scientists can locate starting materials, melting points, NMR spectra, MS spectra, and other physical property data to validate syntheses. It contains approximately 35 million scientifically measured (not calculated) facts.

Available Chemicals Directory provides access to 2D and 3D structure, supplier, and pricing information for a quarter of a million research-grade and bulk chemicals. It contains nearly one million products from more than 600 suppliers.
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The Cambridge Structural Database |Feb 05|

The Cambridge Structural Database (CSD) is the worldwide repository of validated crystal structure data for small organic and metal-organic compounds. In addition to the three-dimensional chemical structures, the CSD also contains bibliographic and chemical text, two-dimensional chemical diagrams, and crystal property information. The CSD contains more than one-third of a million structural entries.

The CSD System is a single product consisting of:

  • The database itself;
  • Comprehensive search, visualisation and analysis tools; and
  • Structural knowledge-bases of molecular geometries and intermolecular interactions derived from the CSD.

ConQuest is the primary program for searching and retrieving information from the CSD. In addition to being used for sketching chemical substructures and defining geometrical parameters, ConQuest provides a full range of text/numeric database search options. Mogul is a knowledge base of molecular geometry. Given, for example, a defined valence angle, Mogul will retrieve all CSD entries that contain the feature of interest.

The CSD System allows researchers to explore molecular dimensions, reaction pathways, conformational preferences, pharmacophoric patterns, hydrogen-bonding and non-bonded interactions.
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InfoChem offers millions of compounds and reactions |Feb 05|

InfoChem has recently launched the new version of its Web-based structure and reaction research platform SPRESIweb, offering internet access to 4.5 million compounds and 3.6 million reactions from 565,000 references including 156,000 patents. More than 28 million facts such as chemical and physical properties, reaction conditions and keywords abstracted from the primary literature are searchable. SPRESIweb 2.1 features an innovative prototype of name reactions search in addition to common search types such as 'substructure search', 'isomer search', 'parent search' and 'flex match'.

SPRESIweb links to document delivery services such as FIZ AutoDoc, CISTI and subito; patent services (Espacenet, US Patent & Trademark Office, and MicroPatent); to other cheminformatics services (ChemNavigator); and to online services for physical property and spectra prediction (ACD/I-Lab). It also enables direct linking from references to the abstracts and full text articles on the publishers' site.,
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ChemOffice keeps track |Feb 05|

CambridgeSoft's ChemOffice 2005 allows chemists to keep track of their work, analyse their data, and correlate biological activity with chemical structures.

Three core applications are: ChemDraw for structural drawing; Chem3D for modelling and visualization; and ChemFinder, a chemical relational database, which now includes BioViz, a bio- visualisation tool to correlate chemical data with biological activity.

ChemFinder has been updated to include The Merck Index 13.2 edition, the ChemACX Database, which now offers over 330 catalogues from leading suppliers, and the ChemMSDX Database, which contains over 20,000 material safety data sheets for common lab chemicals.
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Chemical information management from Accelrys |Feb 05|

In addition to its modelling software referred to elsewhere in this product spotlight, Accelrys offers informatics software covering chemistry, materials science, and biology.

Accelrys is continuing to update its cheminformatics software, offering information management and analysis for chemical structures and associated data. Through releases such as the Accord SDK 6.0, Accelrys is now delivering the next generation of its Accord technology - computational components and products that integrate to create comprehensive chemical information management systems, while also enabling construction of customised, focused applications.
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Bio-Rad claims to KnowItAll |Feb 05|

Bio-Rad's Informatics Division publishes fully verified spectral databases; cheminformatics; spectroscopy software, and decision-support systems. The KnowItAll Informatics System, available in both desktop and enterprise-wide versions, offers ADME/Tox, Spectroscopy, and Cheminformatics.

The ADME/Tox module offers computer-based prediction of a potential drug's ADME/Tox profile. It has the world's largest collection of in silico predictive ADME/Tox models covering factors such as: bioavailability; blood-brain barrier permeability; elimination half-life; first-pass metabolism; human intestinal absorption; immunotoxicity; irritation; log D; log P; metabolite prediction and identification; metabolite toxicity; mutagenicity; neurotoxicity; oncogenicity; plasma protein binding; pKa; polar surface area; rate of absorption; 'rule of five' violations; skin sensitivity; teratogenicity; volume of distribution; and water solubility.

Solutions for Spectroscopy include: more than 885,000 high-quality MS, NMR, IR, and Raman reference spectra; spectral data building and management for multi-technique, proprietary data; spectral data processing; spectral search & analysis; NMR Prediction; IR and Raman functional group analysis.

The Cheminformatics package has tools to draw, modify, store, search, name (IUPAC naming and drawing), and retrieve chemical structures. The ChemWindow publishing software is designed for the chemist who needs to draw chemical structures and publish professional reports. IUPAC NameIt and DrawIt names or creates structures using systematic IUPAC rules.

A KnowItAll Academic Edition is available free of charge to promote learning and research in the academic community. There are also special academic packages and site licensing.,
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Discover! and analyse with CAS |Feb 05|

CAS offers STN Express with Discover, Analysis Edition 7.01. This builds upon STN Express' capabilities to search, analyse, visualise and discover. Users benefit from a new Analyze Plus Wizard for enhanced data grouping, results analysis and visualisation; easier access to Discover! wizards and CAS content; and improved post-processing.

CAS, a division of the American Chemical Society, is an organisation of scientists providing pathways to published research in the world's journal and patent literature - virtually everything relevant to chemistry plus a wealth of information in the life sciences - much of it back to the beginning of the twentieth century. In addition to offering STN in North America, CAS produces a family of online databases and offers the SciFinder desktop research tool.
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Lithium aids visualisation |Feb 05|

Chemical collaboration, 3-D visualisation and decision support are facilitated by Tripos' Lithium suite, which allows researchers to view and share complex molecular data such as protein-ligand crystal structures, docking results, molecular alignments, and other 3D chemical information.

Lithium eases communication between researchers and their supporting computational groups. It employs the same file formats as those used by expert-level molecular modelling packages, but allows the addition of viewpoints and annotation to 3D chemical data. Lithium can be customised through scripting with Microsoft Visual Basic for Applications (VBA).

Tripos' HTS data analysis tool, SARNavigator, allows life-science researchers to retrieve, manipulate, and analyse biological and chemical data and chemical structures.
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ACD Labs automates data collection |Feb 05|

Advanced Chemistry Development, Inc., (ACD/Labs) has developed ACD/Automation Server, an enterprise utility that offers automated data collection, processing, and database population.

Combining modular architecture with an XML-based configuration utility, ACD/Automation Server programmatically exposes the features of ACD/SpecManager tools, which include: analytical data processing; chromatographic and spectral databasing; and intelligent integration of chemical structure and analytical data. Modules are available for processing NMR (1 and 2D), LC/MS, UV/IR, XRPD, DSC, TGA, as well as a variety of other analytical data types. In addition to supporting multiple analytical techniques, ACD/ Automation Server also supports data from a range of instrumentation vendors.

New developments in the company's ChemAnalytics portfolio, covering the 1D NMR Manager, 2D NMR Manager, ChromManager, MS Manager, UV-IR Manager, and Curve Manager Modules, enable the binding together of chromatographic and different spectral data types within the processing and database storage environments.,
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Formulation chemistry from Intelligensys |Feb 05|

Specialising in software to help formulation chemists, Intelligensys provides tools that span the three areas of theory, rules and data.

For formulators who have collected experimental data, machine-learning techniques borrowed from artificial intelligence allow models to be 'learned' directly from the data. Intelligensys' FormRules uses neurofuzzy computing to highlight the particular inputs that affect each of the formulation's properties. The software automatically creates models that describe the cause-and-effect relationships, and presents the results as simple actionable IF?THEN rules. INForm uses neural networks to discover subtle cause-and-effect models in data. In conjunction with genetic algorithm optimisation, the software calculates the formulation that will best meet set objectives, saving experimental effort, time and money. FormData gives strategies for collecting experimental data, including the novel Balanced Density Method.

The Crysalis Suite for inorganic materials contains a Builder and Visualiser that allow inorganic crystals to be built quickly from basic crystallographic data. Surfaces can be created by specifying a Miller index. It includes the Lafite program for the electrostatic potential above an ionic surface (even with the presence of defects), indicating where incoming molecules will 'dock'.
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Chemical analysis and visualisation from AccuSoft |Feb 05|

AccuSoft, which specialises in imaging technology and data analysis tools, has released a cheminformatics toolbox within its VisiQuest product, following a collaboration with Mesa Analytics & Computing.

Scientists can perform chemical fingerprinting, clustering, substructure analysis, and visualisation without having to write a single line of code.

Researchers and developers using VisiQuest can take advantage of distributed parallel computing across heterogeneous networks; operation on very large data sets; integration with other industry applications; extensibility; and competitive pricing.,
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Online evaluation of LabVIEW |Feb 05|

Engineers and scientists can explore the latest version of National Instruments' LabVIEW 7.1 online, via a free web-based tool for evaluating the software through customised tutorials and exercises for new users. Users can learn to develop custom test and measurement applications online, with exercises covering user-interface design, instrument control, signal analysis and more. The online evaluation is based on Virtual Demo Management System (VDMS) technology available from Surgient, a company based in Austin, Texas, that specialises in on-demand applications.
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Collect data to spreadsheet |Feb 05|

Collect SL is the latest member of the Collect RS232 data acquisition family from Labtronics that collects data from laboratory instruments and serial devices into its own internal spreadsheet.

A data parser extracts the required input from the RS232 data stream and stores it in the Collect SL spreadsheet. Date and time stamps, and user information, can be appended to the incoming data as it is collected.
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Vibration monitoring and control |Feb 05|

National Instruments has developed six new modules that expand the I/O capabilities of the NI CompactRIO reconfigurable embedded platform for industrial vibration monitoring and control. With the new modules, engineers now can perform high-fidelity acoustic and vibration measurements, achieve analogue input sampling rates up to 800 kS/s, acquire industrial voltage signals up to ?60 V and use 32-channel modules to extend the channel density of CompactRIO systems.

The new modules include:

  • cRIO-9233: 4-channel, ?5 V, 50 kS/s per channel, 24-bit IEPE analogue input module; cRIO-9425: 32-channel, 24 V, 7 ?s, sinking digital input module;
  • cRIO-9201: 8-channel, ?10 V, 500 kS/s, 12-bit analogue input module;
  • cRIO-9221: 8-channel, ?60 V, 800 kS/s, 12-bit analogue input module;
  • cRIO-9421 with D-Sub: 8-channel, 24 V, 100 ?s, sinking digital input module; and
  • cRIO-9472 with D-Sub: 8-channel, 24 V, 100 ?s, sourcing digital output module.

The cRIO-9233 delivers high-performance dynamic signal acquisition (DSA) measurements for industrial machine condition monitoring (MCM) and in-vehicle noise, vibration and harshness (NVH) testing applications. It offers high-fidelity, 24-bit analogue input channels for up to four IEPE accelerometer or microphone sensors with advanced features such as anti-aliasing filters and smart transducer electronic data sheets (TEDS) sensor compatibility.

National Instruments RIO technology gives LabVIEW developers the ability to define their own custom measurement hardware circuitry using reconfigurable FPGA chips and LabVIEW graphical development tools.
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Femlab goes to 64-bit |Feb 05|

The latest release of Comsol's multiphysics mathematical modelling software, Femlab 3.1, adds access to 64-bit computing platforms, such as Linux on the AMD64 and the Itanium, or HP-UX and Solaris, and introduces new solver technology.

A new multi-grid pre-conditioner optimises computationally-intensive routines significantly reducing solution times and memory consumption. The combination of 64-bit support and solver enhancement enables Femlab to deal with problems of the order of millions of DOFs (degrees of freedom). For example, computing the electric field in a radar reflector can exceed 20 million DOFs.

A structured meshing technique allows users to choose from quadrilateral, hexahedral, and prism elements for the optimal discretisation of a given geometry and modelling of multiple geometries has become easier with innovative coupling of field variables.
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Maple professional |Feb 05|

Maplesoft has produced the Maple Professional Math Toolbox for LabVIEW, providing a bridge between the National Instruments LabVIEW 7.1 graphical development environment and Maple 9.5, and thus integrating the maths of Maple and the test, automation and control capabilities of LabVIEW.

With a new library of automation VIs, users can pass data values between the environments, call the Maple mathematics engine, and automate other Maple operations from LabVIEW.
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MapleNet goes commercial |Feb 05|

Maplesoft has released MapleNet Commercial, a web-based platform based on Maple 9.5 for deploying technical knowledge within and across departments and organisations.

MapleNet Commercial allows scientists and engineers to embed dynamic formulas, models and diagrams as live knowledge inside web pages.

Key features include the ability to: share advanced math content with consumers who don't need to understand either math or its theory; protect intellectual property when sharing information with customers and partners; and to ensure consistent mathematical practices.
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A Window on image and data analysis |Feb 05|

AccuSoft has released a native Windows version of its VisiQuest software product for image and data analysis. VisiQuest 4.0 for Windows combines a visual programming environment, including advanced program constructs, faster running workspaces, and an updated user interface with custom-isable organisation, with a large set of analysis tools.

Other enhancements include the ability to create and export Active X programs directly, TWAIN interface support, enhanced visualisation tools, and support for more than 75 file formats (including DICOM). The company will deliver additional VisiQuest toolkits for medical image analysis, advanced signal processing, and image acquisition by spring 2005.

VisiQuest 4.0 is a free upgrade for current VisiQuest customers on active maintenance plans.
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Knowledge extraction management |Feb 05|

Ariana Pharmaceuticals, which combines artificial intelligence and experimental methods to predict the behaviour of novel molecules, has launched its KEM (Knowledge Extraction and Management) methodology. KEM integrates and mines different data sources to find improved compounds for use in pharmaceutical applications.

Using artificial intelligence techniques commercialised in the banking, nuclear and legal industries, it uses a combination of proprietary computational, crystallographic and biochemical methods to expedite early identification and optimisation of lead molecules.
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Panther protein classification expands |Feb 05|

Applied Biosystems has released the latest version of its Panther database of protein families, subfamilies, functions and pathways. Enhancements include interactive resources for associating protein families with their biological pathways, as well as new tools for analysing gene expression data in relation to molecular functions, biological processes, and pathways.

The release includes functional annotation information for human, mouse and rat genes in addition to the Drosophila genes, with a library of 6,683 protein families, divided into 31,750 functional subfamilies, and covering around 90 per cent of mammalian protein coding genes.
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Cellomics ArrayScan upgrade |Feb 05|

Cellomics has upgraded its ArrayScan HCS Reader instrument platform, consisting of new software features and ease-of-use improvements as well as new hardware - a shutterless, high-performance camera, which provides increased sensitivity and reliability. In addition, the upgrade provides access to the V2 versions of Cellomics' BioApplications image analysis software modules for analysis of cellular images.
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Data analysis and management from Genedata |Feb 05|

Genedata has released version 3.0 of Screener, its data analysis and management system for high throughput screening and compound profiling. Combining information from screening data, pharmacological properties, and chemical structure, this version can pinpoint false-negatives, reduce false-positive rates, and provide guidance for lead optimisation. Screener's new Sarileo module has cheminformatics functionality such as similarity search, compound clustering and chemical homogeneity profiling into Genedata's high-performance platform for cross-assay bioactivity profiling.
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Tools for integrated bioinformatics |Feb 05|

Scientists and researchers can now perform mass-spectrometry data analysis, statistical inference and prediction, view graphs, and conduct enhanced genomic and proteomic sequence analysis with the latest release of the Bioinformatics Toolbox for MatLab. The Bioinformatics Toolbox 2.0 offers a new mass-spectrometry data analysis feature specifically designed for pre-processing data, including baseline correction, smoothing, alignment, and re-sampling.
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Nonlinear Dynamics releases new Phoretix range |Feb 05|

Nonlinear Dynamics has released new versions of Phoretix 2D Evolution and Phoretix 2D Expression.

Phoretix 2D Expression provides enhanced 2D gel analysis features. Users can now apply a logical, three-step approach: set-up; process; and review. An intuitive analysis-wizard defines experiment set- up and then automatically performs comprehensive analysis, increasing gel throughput. Users can review and edit data using the tools provided.
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Better metabolic profiling |Feb 05|

Version 3.1 of Chenomx's Eclipse metabolic profiling software will support NMR spectra prepared using ACD/Labs' 1D NMR Processor, thanks to cooperation between Advanced Chemistry Development (ACD/Labs) and Chenomx.

Chenomx Eclipse software offers the user the ability to completely deconvolute a biofluid spectrum into the individual components and their quantities. However, preparation of the NMR spectra of biofluids can be particularly challenging. Chenomx users now have the option of preparing their spectra with ACD/Labs' NMR processing tools.,
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Modelling the mechanics of drivetrains |Feb 05|

The MathWorks has developed SimDriveline for modelling and simulating the mechanics of automotive and aerospace driveline and drivetrain systems. It includes tools for modelling transmissions, gears, clutches, and rotating shafts, within the Simulink environment. With a solution algorithm and user interface optimised for modelling and simulating driveline mechanics, it provides engineers with an environment for efficient simulation of driveline systems.

SimDriveline includes libraries of components for driveline systems, standard transmission templates, and simple engine and tire models. Models for most driveline configurations can be built using the Library of Common Gear Configurations and the Library of Dynamic Elements, which provides interfaces for modelling clutches, flexible shafts, and torque converters.
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Control design and simulation |Feb 05|

National Instruments has developed a suite of control design and simulation tools that extends LabVIEW to the design, implementation and test of control systems. The new LabVIEW System Identification Toolkit 2.0 and LabVIEW Control Design Toolkit 2.0 feature interactive assistants that give engineers a drag-and-drop, configuration-based environment for plant modelling and control system design.

The Control Design Toolkit features graphical tools such as root-locus and Bode plots to help engineers design dynamic control systems for everything from adaptive cruise control systems to high-precision machines. The suite also includes the Simulation Module and State Diagram Toolkit.

For rapid control prototyping or embedded implementation, engineers can use the control design and simulation tools with the new NI CompactRIO embedded system, a small and durable platform based on FPGA technology. For hardware-in-the-loop testing applications that require high-speed computation capability, they can use real-time PXI targets.
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Free sharing in Excel |Dec 04|

Universal Technical Systems (UTS) has released free software for sharing Excel worksheets and mathematical models created in TK Solver 5.0 Premium Edition. This is part of a new set of features allowing users of TK Solver to link mathematical models dynamically to an Excel spreadsheet and 'package' the file - without any programming. The new feature automatically converts the file into a mini-application (.exe, .zip, .tkx).

Once downloaded, it runs behind the scenes and allows Excel users to take advantage of TK Solver functionality from a familiar Excel interface.
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Handling data in Mathematica |Dec 04|

Data-handling is the focus of Mathematica 5.1, the latest version of Wolfram Research's software.

Styling it as 'the data functions release', the company has introduced innovative algorithms for all steps in the data handling process -- importing, analysing, manipulating, or plotting - and the term 'data' encompasses textual and network as well as numerical data. In addition, there are enhancements to Mathematica's Automatic Algorithm Selection that automatically applies the best algorithm to each task.

There are more than 50 new functions, toolkits, and performance improvements, including: industrial-strength string manipulation; built-in universal database connectivity; highly optimised binary data I/O; additional import-export formats, including XLS and AVI; integrated web services support; 2D and 3D automated network visualisation; high-performance array visualisation; numerical linear algebra performance enhancements; fully integrated piecewise functions; integration over implicitly defined regions; and event-handling in numerical differential equations.
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Tracing rays |Dec 04|

Lambda Research Corporation has issued Release 3.3 of TracePro, its 3D virtual prototyping software to facilitate the design and analysis of almost any optical or illumination system.

TracePro 3.3 features an enhanced RepTile algorithm, Spatial Corporation's ACIS R14 solid modelling kernel, upgraded property editors, updates in the non-ray-splitting mode, enhancements in irradiance/ illuminance maps, ensquared energy irradiance viewing, and enhanced ray selection criteria for irradiance and candela maps.

The RepTile algorithm simulates thousands, millions or billions of repetitive surface features, and is used for designing backlights used in flat-panel displays. Now its features are parameterised so they can be defined by an expression that can depend on the row and column number. Further RepTile enhancements include a random number feature to randomly vary parameters, and decentring of geometry within a tile.
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A better view of data |Dec 04|

Tecplot, which develops data visualisation and technical plotting software, has produced Release 4 of Tecplot 10, with the ability to load data faster, create animations easier, and add a menu API for user interface customisation.

The most significant new features of Release 4 are: advanced file loading options, which make data loading faster and generating images quicker; zone animation enhancements, which eliminate the need to learn and write a macro for simple time-zone dependent animations; and a menu application programmer's interface (API) in Tecplot's Add-on Developer's Kit, which gives add-on developers and OEM partners full control of the Tecplot menu.

'Because of improvements in computing power and increased physical memory limits, speed is the name of the game for visualisation software,' said Mike Peery, president and chief executive officer of Tecplot. Pricing starts at $1,600 in the USA.
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64-bit mathematics |Dec 04|

The MathWorks has announced new support for Matlab and Simulink on AMD64 and Intel EM64T processors. With this new support for x86-64 platforms, users can get the benefits of 64-bit computing with applications involving large data sets and computationally intensive tasks.

This version was developed for the Linux x86-64 platform in response to the most frequent customer requests: large data set access and manipulation, and optimal computational performance.
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Maths distributed |Dec 04|

The MathWorks has introduced its new Distributed Computing Toolbox, which enables engineers and scientists to execute Matlab algorithms and Simulink models in a cluster of computers. The toolbox enables Matlab and Simulink users to perform intensive computations with large data sets previously unattainable on a single computer. In addition, users will be able to control the complete distributed computing process via a standard function-based or object-based interface in Matlab. The software can run in either homogeneous or heterogeneous clusters.
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Buy maths online |Dec 04|

Thomson is to sell mathematical problem-solving software products from Universal Technical Systems (UTS) through Techstreet, the online superstore for engineers, corporate librarians, and technical professionals worldwide.

The initial launch will feature three UTS products under the umbrella title 'Technology Tools for Engineers', including: TKSolver, the best-selling mathematical equation solver; Interactive Roark's Formulas, the interactive version of the reference book on stress analysis; and MathLook for Excel, an Excel add-in that displays formulas in standard math notation.
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Data collection without cables? |Dec 04|

First the paperless, now the wireless laboratory: Labtronics is introducing a wireless data collection system that will, it says, replace PCs, cables, and clutter, with convenience. The Collect-VirtuCOM is a complete off-the-shelf package that combines the company's Collect software with the hardware needed to setup a wireless interface between serial instruments and devices and any Windows program.

Wireless interfacing eliminates the need to provide a PC for every instrument - reducing the cost of interfacing and the need to take up valuable bench space. A wireless interface can also provide access to instruments and devices in remote or isolated locations, such as a clean room or a high-radiation area where traditional cable-based interfaces are impractical.

The Collect software is easy to set up. Simple, fill-in-the-blank, screens guide users through the set-up in a matter of minutes.

At run time, the analyst can simply select the instrument that they are using and start collecting the result data - no fumbling with cables and connections. Available for a single instrument or as a four-instrument package, the Collect-VirtuCOM system can provide wireless interfacing for less than $250 per instrument.
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Data collected to Windows |Dec 04|

TAL Technologies has released WinWedge Pro v3.1, its data-collection program designed for interfacing RS232 (and TCP/IP) devices such as data collection equipment, laboratory instruments, balances, pH meters, moisture analysers, micrometers, flow meters, temperature sensors, bar code scanners, GPS receivers, and other serial output devices, to any Windows application. WinWedge inputs real-time serial data into Excel, Access, LIMS, MMIs, statistical or other Windows software.

WinWedge can be used to perform real-time analysis, charting, and graphing of serial data in PC applications. Different instruments can simultaneously send data to different applications or to different 'fields' within the same application.

Two of the most useful improvements are in the 'Analyze' window, which lets users identify and analyse the structure of their incoming serial data. Users can now leave the window open while defining the structure of the input data and can also re-size it, thus reducing the need to scroll through data that appears in the Input Buffer textbox.

When WinWedge is configured to send data to other programs as 'keystrokes', additional keystrokes and date and time stamps can be sent. To accommodate this, a new 'Delay' function has been added. Another new feature is the ability to use WinWedge with DOS application programs or other Windows applications that do not respond to keyboard input in a normal manner.

Owners of WinWedge Pro 3.0c can upgrade for free. For those with any previous version of WinWedge Pro, the cost is $159.00. from Scientific Computing website
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Image acquisition standardised |Dec 04|

National Instruments has introduced a PCI Express-based image acquisition board for high-throughput vision applications. The NI PCIe-1429 acquires images at the highest speeds, resolutions, and bit depths available for Camera Link cameras, for applications such as synchronised data and image acquisition, fault analysis, and advanced motion tracking.

Engineers and scientists can now acquire high-speed data through a standard PC bus, instead of being restricted to devices with banks of expensive onboard memory, which could only acquire images for short periods of time, or specialised buses such as the PCI 64/66 or PCI-X, which are not supported by standard PC chipsets.

Each PCIe-1429 includes one trigger line and two Camera Link connectors. Additional I/O lines for advanced triggering, pulse-train outputs, and isolated digital I/O, are also available. The board's four-lane PCI Express configuration can acquire data at the full Camera Link bandwidth of 680 MB/s. The board is ideal for many industrial, life science and biomedical imaging applications.

PCI Express is a high-performance, point-to-point serial interconnect that improves PCI by providing scalable bus bandwidth.
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Noise vibration and harshness |Dec 04|

High channel-count audio and vibration analysis can be conducted faster and more accurately with the new PXI-4462 data acquisition (DAQ) module, according to its makers, National Instruments. The PXI-4462 is the latest addition to the company's 24-bit sound and vibration measurement hardware family and delivers four-channel differential inputs for high-end audio test and noise, vibration and harshness (NVH).

This DAQ module is ideal for engineers requiring a high channel-count analogue input for vibration, acoustic and audio measurements. The new module features 24-bit delta-sigma converters that provide nearly 120 dB dynamic range across an audio bandwidth up to 20 kHz, ensuring high accuracy for engineers taking precision audio measurements. It also includes anti-aliasing protection and integrated electronic piezoelectric (IEPE) conditioning for microphones and accelerometers.

By using the PXI-4462 with software tools such as the NI LabVIEW Sound and Vibration Toolkit 3.1 and the Order Analysis Toolkit 2.0, engineers can perform a variety of tests including fractional-octave analysis, total harmonic distortion, spectral analysis and joint time-frequency analysis.
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ChemOffice for the new year |Dec 04|

Cambridgesoft is now shipping the latest ChemOffice release. According to the company, ChemOffice 2005 will transform any PC into a chemical and biological publishing, modelling, and database workstation. It consists of ChemDraw 9, Chem3D 9, E-Notebook 9, ChemFinder 9, ChemInfo 9 and BioAssay 9. A new addition is BioOffice, a suite of software especially designed for biologists who need to draw biological pathways and manage biological data. BioOffice includes BioAssay, BioDraw, Chem3D, E-Notebook, ChemDraw and more.

The three core components of the suite are: ChemDraw for structural drawing; Chem3D for modelling and visualisation; and ChemFinder, a chemical relational database application that integrates with Excel and Word. An innovative feature is ChemFinder's BioViz, a new bio-visualisation tool to correlate chemical data with biological activity. Also included are updates to the structure-searchable databases, including The Merck Index 13.2 edition, the ChemACX Database, which now offers over 330 catalogues from leading suppliers, and the ChemMSDX Database, which contains more than 20,000 material safety data sheets for commonly used laboratory chemicals. from Scientific Computing website
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Database of chemistry patents |Dec 04|

Elsevier MDL has introduced the MDL Patent Chemistry Database, a new structure-searchable collection of patent chemistry information specifically designed for research scientists and information professionals. Researchers can rapidly explore World, US, and European patents dating from 1976 using structure, reaction, and text searches.

The database is available via the MDL CrossFire Direct system or for in-house installation. In 2005, it will be offered through the DiscoveryGate web-based platform.

Nearly 70 per cent of the compounds in the database are not found in other DiscoveryGate databases. The MDL Patent Chemistry Database contains 1.5 million structure-searchable chemical reactions and over 1.6 million organic, inorganic and organo-metallic compounds, and associated information taken from approximately 340,000 organic chemistry and life science patents.
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Science visualised in a Prism |Dec 04|

SGI has introduced Prism, which it claims is the first Linux-based high-performance visual computing system designed to solve visualisation problems for scientists and engineers.

Applications such as cancer research, disaster preparedness, oil exploration, and car safety analysis, involve enormous amounts of data. The Silicon Graphics Prism is designed to address terabyte-sized, highly complex data as a single contiguous data set in memory.

The company foresees many applications: university research, oil exploration, drug discovery research, and emergency management. The UK entry price is £17,000.
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Student version of Matlab |Oct 04|

The MathWorks has produced Matlab and Simulink Student Version Release 14. The Student Version package includes the newest releases of Matlab and Simulink, the books Learning Matlab and Learning Simulink, and a complete set of product documentation on a CD. Also available are companion products with application- and domain-specific capabilities in areas such as signal processing and communication system design, control design and analysis, and physical modelling.

A redesigned desktop includes new programming and debugging tools, automated program analysis for code quality, and publishing of code and output directly to HTML and Word. Simulink 6 Student Version Release 14 enables students to build complex models of up to 1,000 blocks for simulating and analysing multi domain systems for control, signal processing, and communications.
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Model-based design in video and imaging |Oct 04|

The MathWorks has produced the Video and Image Processing Blockset, for designing embedded video and image processing systems. It allows imaging engineers in aerospace and defence, automotive, communications, consumer electronics, education, and medical electronics, to build models, simulate algorithms and system behaviour, generate C-code for deployment on programmable processors, and verify their designs, all within the Simulink environment.

The blockset enables engineers to use model-based design for embedded systems development, dramatically increasing user productivity and achieving faster product time-to-market.
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PC-based ship manoeuvring simulator |Oct 04|

Dynaflow has produced a ship-manoeuvring simulator, DynaSim, running on PCs that employ modular mathematical models for the various components of the ship (hull, propellers, rudders, thrusters); environmental effects (wind, current, waves); and waterway (bottom, pier walls), to achieve a sophisticated and faithful mathematical model.

In the fully user-controlled mode, the user controls the rudder, the engine, and lateral thrusters through a graphic control panel to simulate navigation of a ship. In the standard ship certification manoeuvre mode, it can simulate a ship performing one of the classical manoeuvres recommended by the International Maritime Organisation (IMO) for evaluating the hydrodynamic characteristics and manoeuvrability of a ship. Under the computer-controlled manoeuvres mode, the ships are asked to follow specified routes and the simulator can model ship traffic in the open ocean or in a restricted environment. from Scientific Computing website
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Enhanced service for GenStat |Oct 04|

VSN International has released GenStat for Windows Seventh Edition, Service Pack 1. Available at no cost to all GenStat 7th edition users, Service Pack 1 contains bug corrections and enhancements, including an upgrade of the server to release 7.2 and an update to the FLEX licensing components (for those using floating network licenses only).

Full details of the corrections and enhancements are on For a full review of GenStat7, see the March/April issue of Scientific Computing World.
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Reliability-based design optimisation |Oct 04|

Noesis Solutions is now shipping Optimus 5.0, its flagship product for the process integration and multi-disciplinary design optimisation market. The enhanced robust design and reliability engineering module of Optimus predicts and reduces the impact of parameter variability on the resulting design. It now offers First Order Reliability Method (FORM) and Second-Order Reliability Method (SORM), which require significantly less computation time than a Monte Carlo run, and provide a fast alternative to compute the probability of failure and improve other robustness and reliability measures.

The new graphical user interface is now Java-based and native on all platforms, including Windows, UNIX and Linux, supporting multiple languages. The software has advanced interactive plotting features to display parameter contribution, correlation, scatter and sensitivity diagrams, 2D and 3D colour contour plots as well as optimisation progress charts and histograms. It captures engineering processes in templates, which can be stored for later use or distributed to other users. from Scientific Computing website
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MathFlow Editor extends MathML support to XMetaL users |Oct 04|

Design Science has released MathFlow Editor 1.0 for XMetaL. Developed in partnership with Blast Radius, this latest addition to its line of MathML publishing workflow components gives users of Blast Radius' XMetaL 4.5 Author and XMAX (XMetaL for ActiveX) the ability to compose and edit mathematical expressions in documents expressed in MathML.

STM publishers are moving rapidly toward XML-based production workflows. MathFlow Editor provides an easy-to-use, point-and-click interface for creating and editing mathematical notation represented in MathML. It joins its MathFlow for Arbortext group of products that adds MathML editing, document conversion, and composition to Arbortext's Epic and E3 products.
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Technical publishing made easy |Oct 04|

Publicon, new software for composing technical documents, produces platform-independent files that can be exported to HTML, XML, LaTeX, or custom Publicon formats.

Publicon incorporates intuitive maths typesetting technology with additional templates for chemical equations, special characters, and symbols to produce publication-quality documents quickly and easily. Mathematical notation from Publicon documents can be copied and pasted for computation in Mathematica, allowing dynamic interaction with the text.
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Systat Software launches SigmaPlot 9 |Oct 04|

Systat Software has introduced version 9 of its data analysis and technical graphing software, SigmaPlot.

It is fully compatible with SigmaStat 3.1, the company's guided statistics package, allowing researchers to access the most frequently used statistical procedures directly from the SigmaPlot statistics menu. New category data format options in the Graph Wizard enable users to show differences among groups in their data or to visualise group effects in multiple comparison charts. Further enhancements include improved histograms for distribution visualisation with automatic binning and added symbol types, which will allow users to more easily different-iate multiple groups. New export options, such as PDF for graphs and reports and HTML for reports, will enable researchers to share their results with colleagues easily.
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Simplify data preparation |Oct 04|

KXEN, which provides predictive analytics, has released KXEN Companion to help SAS professionals in data preparation and selecting variables. Users of SAS Base and SAS Enterprise Miner can now quickly select the relevant variables out of thousands, without carrying out a complete statistical analysis of each and every variable.

KXEN Companion highlights: the variables ranked by their contribution to be included in a model; the correlated variables that contain information, but among which one or more variables should be selected; and the variables that contain no information to explain the target; the variables that are completely correlated with the target and should be discarded. It is based on Statistical Learning Theory by Vladimir Vapnik, an international expert on machine learning and theoretical and applied statistics.
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Data mining and cleaning |Oct 04|

Version 2.0 of NAG's Data Mining and Cleaning Components (DMC 2.0) is the first commercially available data mining application development toolkit that uses results from a three-year European Union funded project, Euredit.

Improvements include: better data cleaning, to resolve missing, invalid or incomplete data; advances in outlier identification, to determine which datasets are suitable for analysis; newly memory-efficient multivariate statistical methods; and added functionality for machine learning and pattern recognition.

A hyperlinked PDF User Guide directs users to function documents for the problem they wish to solve. Written in ANSI C with simple function interfaces, NAG DMC 2.0 is ideally suited for interfacing with other programming languages such as PERL, Java, C#, and Python. 2.
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Universal electronic lab notebook |Oct 04|

IntelliChem, a provider of intelligent electronic lab notebooks (i ELN) for discovery and development, has released the IntelliChem Universal ELN solution.

The universal ELN is designed to be flexible enough to model any scientific or non-scientific workflow. IntelliChem's Universal ELN is fully chemically aware, allowing content such as chemical structures, materials, and analytical data to be captured, viewed, and searched. The Universal ELN is now an integrated component of each IntelliChem product suite.
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Instrument interfacing and analysis add-in to Excel |Oct 04|

Labtronics has introduced Analyze XLerator, a laboratory software package that uses Microsoft Excel as a platform for automating both data collection and the processes that generate laboratory data.

The package can automate any analytical procedure that uses RS232 or TCP/IP instruments. Pre-configured Excel templates for ASTM and EPA Standard Methods such as BOD, pH, EC, ISE, AA, TOC, Colorimetry and a number of weighing applications are included.

Analyze XLerator can interface multiple instruments into a single PC, allowing analysts to control numerous tests and monitor remote instruments from one location. from Scientific Computing website
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USB devices offer portable data acquisition |Oct 04|

Engineers and scientists can now access National Instruments' data acquisition (DAQ) hardware by plugging a USB cable into a computer with five new USB DAQ products - the first in a series. Their small size and easy connectivity make them ideal for operations such as in-vehicle data logging and environmental monitoring.

The DAQPad-6015 and DAQPad-6016 have 16-bit accuracy and increase the maximum sampling rate to 200 kS/s for a single channel. Both offer built-in screw terminal connectivity, eliminating the need to purchase a cable and terminal block.

The USB-9211 is a four-channel, 24-bit, thermocouple measurement device that includes built-in screw terminal connectivity. The USB-9215 is a four-channel, 16-bit, simultaneous sampling analogue input device that measures multiple signals.

The SCXI-1600 DAQ module delivers plug-and-play USB connectivity to 40 measurement modules within the company's SCXI signal conditioning platform. Engineers now can create high-channel-count sensor measurement systems without the extra cost and setup time of connecting a DAQ device and cable to the SCXI signal conditioning hardware. from Scientific Computing website
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Controller area network for handheld PDAs |Oct 04|

National Instruments has released software that delivers Controller Area Network (CAN) technology to handheld PDAs. By using the new CAN for PocketPC software with the company's LabVIEW PDA Module, engineers can create CAN applications and download them to PocketPCs. This improves test applications that require smaller, more portable platforms, such as mounting the PDA on the dashboard in automotive testing.

The software also offers portable CAN data logging for portable monitoring and control of CAN devices on the factory floor, and allows engineers to automate measurements in automotive, medical and embedded applications. NI-CAN interfaces for PXI, PCI and PCMCIA integrate with data acquisition, image acquisition and motion control modules by sharing timing and triggering lines. NI-CAN bus interfaces comply fully with the physical and electrical specifications outlined in ISO 11898.
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Faster measurement and automation |Oct 04|

Engineers now can develop measurement and automation applications faster and easier with National Instruments Measurement Studio 7.1, the suite of class libraries and controls for acquiring, analysing and presenting data in applications built using Microsoft Visual Studio .NET.

The new software offers more than twice as many user interface controls as previous versions, an integrated Instrument Driver .NET Wizard, and NI-DAQmx 7.3 support to increase productivity for developing measurement and automation applications. It provides nine measurement-specific, extensible user interface components to help engineers create custom interfaces. A built-in Instrument Driver .NET Wizard converts existing VXIplug&play, IVI or legacy instrument drivers to .NET framework-based drivers.

It supports NI-DAQmx 7.3, the newest version of NI measurement services software, featuring automatic code generation for creating applications in Microsoft Visual C# .NET, Microsoft Visual Basic .NET and Microsoft Visual C++ .NET.
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High-resolution microscope images |Oct 04|

Light microscope users in biomedical research and other laboratories can now automatically record high-resolution, multidimensional images, with the MosaiX module of Carl Zeiss' AxioVision 4.2 imaging software, which completely controls the digital camera and motorised stage to automatically record, analyse, and archive digital images and image series.

Ideal for neurobiology, cell and development biology, zoology, virology, histology or pathology, MosaiX combines individual frames to form a single, large image of an entire surface or large object, but it is completely automatic. It retains the pixel accuracy of the original individual images while combining the overlapping images so precisely that all the important details of the specimen are recorded. Users can then simply and quickly navigate around the object for further individual analyses using the MosaiX image like a map.
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Image analysis software upgraded |Oct 04|

Media Cybernetics, which specialises in scientific image analysis software, has released Image-Pro Plus Version 5.1, which includes: Memory Management - allowing users to load and analyse image sets that are larger than the available RAM memory, and beyond the Windows 2 GB per program memory limitation.

Advanced Automatic Tracking - now including the ability to measure the objects being tracked and advanced automatic tracking. Correlation Tracking - allowing users to track objects when image segmentation is difficult or not possible.

Static &Dynamic Intensity Tracking - to track and graph the changing of intensity parameters over time within an area of interest.
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Image analysis for transmission electron microscopy |Oct 04|

iTEM is the new image analysis platform from Soft Imaging System for transmission electron microscopy. iTEM offers the entire analySIS 5 performance spectrum for processing, analysis, visualisation, image and data archiving, as well as automation and report generation.

TEM image acquisition is now through high-resolution digital cameras as opposed to photo plates. Sophisticated image processing software makes automated analysis possible. For example, image stacks and image series are automatically acquired, aligned and visualised; energy filters are operated and images automatically evaluated; the microscope can be remote-controlled from an external source; and automatic investigations of stress in new semiconductor structures are performed or diffraction images are analysed. The base version of iTEM is expandable to include evaluation of diffraction images, analysing convergent images for analysis of semiconductor stress, evaluation and visualisation of energy loss spectra, telemicroscopy, and 3-D visualisation. from Scientific Computing website
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SmartShell automates compliance with regulations |Oct 04|

VelQuest has produced a major new release of its SmartShell automated compliance software. Version 2.1 of SmartShell provides 21 CFR Part 11 remediation for PC-based instruments and applications that do not already comply.

It also provides centralised security and access control administration for all instruments, and a centralised secure repository for all regulated data. SmartShell provides the same capabilities for Excel, and Word.

Included in this release is the new 'Shadow Mode' of operation, which allows remediated applications to write directly to the local disk, from where a copy is immediately transferred to the secure Records Management System.
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Compliance solution for spreadsheets |Oct 04|

Scientific Software can help organisations achieve regulatory and corporate compliance for Excel spreadsheets. Scientific Software Remediation Services for Microsoft Excel helps organisations audit, track and control changes to corporate spreadsheet templates by providing a unique cell-by-cell audit trail, a special cell locking mechanism controlled by the repository, a powerful differencing tool, and the ability to lock out certain Excel functions and menus to prevent tampering with macros and formulas.

Designed specifically to enable compliance with corporate and regulatory mandates (21 CFR Part 11, Sarbanes-Oxley, SEC) for managing electronic records, this tool helps organisations get control of their corporate spreadsheet templates.
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Central data repository |Oct 04|

Scientific Software has produced Enterprise Content Manager (formerly known as CyberLAB ECMS), an ECM software platform that provides a secure, central repository and rich content services to create, capture, manage, archive, and re-use critical information.

The software manages both human-readable and raw data from instruments (medical imaging/ DICOM devices, chromatography systems, NMR, mass spectroscopy) as well as any document type such as Word, Excel, PowerPoint, Outlook e-mails, and images. It can also extract PDF Metadata such as full text, fields, or data from charts, graphs, or tables. There is support for electronic signatures, automated PDF rendering, electronic forms support, scalable vector graphics extraction, PDF metadata extraction, and desktop integration.

It has a technology-neutral format file conversion based on the AnIML (XML) schema and the ASTM E13.15 standard for long-term archival of analytical data and Secure Access for Everyone (SAFE) authentication based on PKI trust infrastructure for legally enforceable and regulatory compliant electronic signatures.
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Science to benefit from Power5 |Aug 04|

IBM has announced what may be its most important large-scale computing system since the debut of the IBM mainframe 40 years ago. The new p5 systems have particular relevance to the scientific community as they provide higher utilisation, massive performance, greater flexibility, and lower IT management costs.

IBM claims that the introduction of its new eServer p5 line of UNIX and Linux, servers will change UNIX computing completely. Using Power5 microprocessors and Micro-Partitioning, an IBM Virtualization Engine technology, the servers achieve improved computing performance and reduced costs.

The new systems are the result of a three-year research and development effort at IBM extending beyond traditional UNIX servers with mainframe-inspired features. The new systems give clients choices of implementing different solutions Рranging from a two-way server to a 16-way server.

They are the first UNIX systems designed to enable clients to run multiple (up to ten) virtual servers or Micro-Partitions on a single microprocessor. The AIX 5L V5.3 operating system also enables clients to reduce costs. The Power5 microprocessor features 276 million transistors per processor, and is manufactured with IBM's 0.13-micron copper wiring and SOI (Silicon-on-Insulator) technologies. It integrates not only multiple microprocessors, but elements of memory and task management.

IBM's Micro-Partitioning technologies allow each processor to be subdivided into as many as 10 'virtual servers'. This allows p5 servers to consolidate multiple independent workloads resulting in an easily-managed virtual server farm.

The initial release consists of three servers to fit a variety of needs Рfrom small to medium-sized businesses to large enterprise-level clients. The deskside or rack-mount p5-520 will be a two-way, entry level system using a 1.65 GHz Power5 microprocessor with up to 32GB of memory, running either AIX 5L or Linux. The deskside or rack-mount p5-550 will scale up to four-way, and be equipped with up to 64GB of memory running the 1.65 GHz microprocessor, also running either AIX5L or Linux. And the p5-570 will scale up to 16-way, with a 1.9 GHz POWER5 microprocessor, and be able to run either the AIX5L or Linux operating systems. The p5-520 system has a starting price of $12,920; while the p5-550 starts at $22,100, and the p5-570 at $25,928.
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A CFD code for bubble dynamics and ship motion |Aug 04|

2DYNAFS/3DYNAFS is a suite of computational fluid dynamics (CFD) codes based on the boundary-element method, and designed for the simulation of unsteady incompressible fluid flows in the presence of free surfaces.

The programs can handle the dynamics of single or multiple bubbles near solid boundaries or free surfaces, bubble dynamics near a submerged object and deformation in a non-uniform fluid flow, the dynamics of free surface waves, and generation of surface waves by a floating or submerged body motion.

3DYNAFS has recently been applied to cavitation studies on planing surfaces and propellers, and for ship-ship interaction, and surf zone modelling. It is being coupled with other general-purpose codes such as the Mississippi State University Reynolds Averaged Navier Stokes code UNCLE and the Lawrence Livermore National Laboratories structured dynamics code DYNA3D.

2DYNAFS is an axisymmetric version designed to solve fluid flow problems involving highly non- linear free surface dynamics, such as encountered in multiphase flows, ocean dynamics and time-dependent interfaces separating two or more fluid phases.
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High-performance data visualisation software |Aug 04|

Advanced Visual Systems (AVS), has released AVS/Express 6.3, a major upgrade to its AVS/Express software for advanced graphical applications in science, engineering and business. The new version improves performance, adds several new data visualisation capabilities, and includes enhancements influenced by users.

New features include a segmentation editor for isolating regions within volumetric datasets; readers for eight CAD/CAM-oriented geometry formats; new visualisation macros and an improved data visualisation wizard; support for new platforms including Mac OS X and the .NET 2003 compiler on Windows; a new 'Quick Start' tutorial designed for new users; and enhanced documentation.

AVS/Express Visualisation Edition is used by individual researchers to conduct complex analysis; the Developer Edition permits the distribution of run-time applications; and the Multipipe Edition permits teams of researchers to view present-ations using immersive systems.
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Two toolkits for Maplesoft |Aug 04|

Maplesoft has announced the release of two components of its new 'Toolbox' series: the Global Optimization Toolbox; and the Database Integration Toolbox. The toolboxes extend the power of Maple 9.5, the principal software from Maplesoft.

The Global Optimization Toolbox provides the best answer to modelling problems that have many possible solutions, under complicated constraints. Optimisation models are easily defined using Maple's numeric and symbolic system, and then quickly solved by the numeric solvers. The user has the advantages of natural and flexible problem definition, syntax-free visualisations, and technical knowledge management capabilities. Applications include advanced engineering modelling, medical research, chemical processes, and finance. The commercial list price is US$1,695.

Maplesoft's Database Integration Toolbox allows users to query, create, and update JDBC-compliant databases within Maple. The Maplet task assistants allow users to compose complex queries without any detailed SQL knowledge. Features include:

  • Maplet task assistant for writing queries, making knowledge of SQL unnecessary;
  • Automatic data conversion between SQL and Maple, allowing natural manipulations within each environment;
  • Powerful Maple technical analysis and programming tools for data analysis, manipulation, visualisation and transformation;
  • Cross-platform and cross-database implementation for maximum reuse and transferability.

The commercial list price will be US$995.
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Virtual Instrumentation |Aug 04|

Automated test engineers now can create ultrahigh-density switch systems in a single PXI chassis by using the industry's highest-density PXI switch module from National Instruments combined with NI Switch Executive switch management software. The combination brings engineers closer than ever to achieving the performance of large proprietary automated test equipment (ATE) systems with the industry-standard PXI platform, according to the company.

The new PXI-2532 ultrahigh-density module offers 512 crosspoints - the largest matrix density available for a single 3U PXI slot. When used with the NI PXI-6653 multichassis synchronisation module, it is possible to create hundreds of thousands of synchronized matrix crosspoints.

NI Switch Executive is off-the-shelf, switch-management software that fully integrates with all NI switches. It simplifies the configuration, management, and automation of switch systems with a graphical configuration interface and an intuitive software interface for program development. The PXI-2532 switch and NI Switch Executive are ideal for applications in a variety of industries. Priced from $4,795.
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LabVIEW supports for smart sensors |Aug 04|

National Instruments and sensor manufacturers are collaborating to support the IEEE 1451.4 standard for smart sensors by adopting the new Transducer Electronic Data Sheet (TEDS) library for NI LabVIEW 7.1 to read and write sensor information. TEDS technology eliminates paper sensor data-sheets by digitally storing data such as scaling parameter, calibration, and sensor vendor information on an embedded EEPROM chip, simplifying sensor configuration and eliminating data entry errors.

According to the company, LabVIEW is the first general-purpose application software to fully support the IEEE 1451.4 standard. Three new NI hardware products Рthe NI SC-2350 signal conditioning carrier for multiple types of sensors, the NI BNC-2096 rack-mount terminal block for IEPE sensors and the SCXI-1314T terminal block for bridge sensors Рinclude the circuitry required to communicate with TEDS. All three devices work with NI-DAQmx 7.2, the latest version of NI measurement and control services software, to incorporate TEDS functionality into features such as NI Measurement & Automation Explorer and DAQ Assistant configuration software.
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LMS Introduces Revision 5 of LMS Test.Lab |Aug 04|

LMS International has introduced Test.Lab Rev 5, for noise and vibration testing and engineering. Including solutions for rotating machinery, structural and acoustic testing, environmental testing, vibration control, test data processing, reporting and data sharing, Rev 5 introduces new and enhanced modules: efficient geometry-definition methods for modal testing, LMS PolyMAX modal parameter estimation methods for operational modal analysis, a revolutionary solution for torsional vibration testing, enhanced capabilities for mobile testing, sound quality analysis and diagnosis, a complete solution for environmental testing, and new functionality for test data management, including support of ASAM.

Coupled with the mobile LMS SCADAS 305, LMS Test.Lab Rev 5 now offers enhanced capabilities for a high-performance mobile testing system that can be installed just as easily in the test laboratory as in a proving-ground test vehicle.
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Version 11 of Systat launched |Aug 04|

Systat Software has introduced version 11 of its statistical analysis software. Systat 11 performs analyses significantly faster than the previous version, and offers statisticians and professional researchers an improved user interface. Enhanced statistical features include Bayesian and robust regression, Monte-Carlo (including Markov chain Monte-Carlo) algorithms for complex simulation tasks, quality analysis features (Sigma measurement, Taguchi designs, Gauge R + R), hypothesis testing and fitting distribution procedures. There are also about 700 new pages of additional documentation and training material.

The software's intelligent statistical graphing has been significantly enhanced with improved 3D and new quality charts, improved graph customisation and data visualisation. Revised organisation and menu customisation of related functions streamlines standard statistical workflow processes making research analysis more efficient.

Systat 11 is available for 995 euros; an upgrade is available from 295 euros.
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Graphical development made simple |Jun 04|

National Instruments has upgraded its family of graphical development products with the release of LabVIEW 7.1. This extends Express technology to automated instrumentation and real-time applications, with new Express VIs for NI modular instruments and NI-DAQmx, advanced debugging and low-level execution timing.

'Last year, LabVIEW 7 Express introduced a revolutionary way to create test, measurement and control applications with configuration-based development and code-generation tools such as Express VIs and measurement assistants,' according to Ray Almgren, NI vice president of product marketing. 'By extending Express technology to the broad spectrum of NI automated instrumentation, LabVIEW 7.1 simplifies development for all users, regardless of their hardware platforms.'

With five new Express VIs for NI digitisers, signal generators, and high-speed digital I/O, engineers can configure measurements and acquire data with just a few mouse clicks. The redesigned NI-DAQmx measurement services software increases performance of single-loop PID applications by 30 per cent and simplifies hardware-timed loop implementation. In addition, the new PDA Module delivers more data acquisition functionality, including faster multichannel acquisition and analogue and digital triggering. Engineers can use this module to create customised handheld DMM applications and communicate with Bluetooth-enabled devices.

LabVIEW 7.1 also introduces advanced execution timing and graphical debugging for low-level control and visibility of real-time system execution. This release extends LabVIEW Real-Time to run on certified desktop PCs.
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Environmental analysis reports |Jun 04|

Thermo Electron Corporation has developed a new software package for environmental reporting, EnviroLab Forms. Complementing the company's DSQ GC/MS family of single quadrupole mass spectrometers, Envirolab Forms is a user-friendly program and gives environmental laboratories a choice of 10 reporting formats.

Written for the EPA methods performed on Finnigan GC/MS systems, EnviroLab Forms is a new, layered application that can be applied to data from Xcalibur 1.3 and above. Unique to EnviroLab Forms are the DFTBB and BFB tune check forms. Based on decisions made in respective EPA methods, they make a pass/fail judgment on the ion ratios, thereby saving the operator valuable time.
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Graphical data-acquisition |Jun 04|

DASYTEC USA has released DASYLab 8, the latest version of the company's Windows-based graphical data-acquisition software. Version 8 features a new Quick Start guide, interactive tutorial, and 120 examples to help engineers accelerate set-up and development of data acquisition, process monitoring, control, data display, and data analysis applications.

In addition to easily configuring their applications, test engineers now can customise the user interface for instant access to the menu functions they use most often. The software features eight user-defined buttons on the front panel for one-click access to any function, and engineers can set user interface module defaults specific to their hardware. DASYLab 8 includes three new and 12 updated multifunction data acquisition drivers that support varying sampling rates for each device, a new Controller Area Network (CAN) logger module for storing all or selected CAN telegrams, and a new polar plot module with which engineers can create circular plots using polar coordinates and x and y coordinates.
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Thread Safe Fortran |Jun 04|

Visual Numerics, which specialises in numerical analysis and visualisation software, has released its IMSL Thread Safe Fortran Numerical Library. This addition to the IMSL product for Fortran developers has added complete thread safety for improved speed and performance.

The company believes that its IMSL Thread Safe Fortran Numerical Library is the most powerful collection of mathematical and statistical algorithms available. The routines have been checked and tested to ensure that multi-threaded applications can rely on the entire library 100 per cent of the time.
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Maths on the Web goes faster |Jun 04|

webMathematica 2.1 delivers web computations with the increased speed and scope of Mathematica 5. It has also been enhanced with development options and support for additional graphic, web, and matrix file formats, including the PNG web bitmap format, the vector graphic format SVG, and the medical DICOM standard.

Designed to help developers deliver fast, dynamic websites for their users, webMathematica addresses the problem of how to create and distribute technical computing application solutions in today's networked environment. Built on standards such as HTML, Java, and Java Servlet technology, webMathematica 2.1 integrates the advances of Mathematica 5 into virtually any infrastructure.
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New Maple growth |Jun 04|

Maplesoft has released Maple 9.5, the latest version of its engineering, science, and mathematic software. New features building on the software's capabilities include:

  • New integrated algorithms for optimisation problems.
  • New solvers for differential-algebraic equation systems for advanced modelling applications.
  • Major performance improvements.
The software also offers tools to manage technical knowledge, including: an integrated dictionary of engineering and mathematical terms for instant access to reference information; user interface improvements that make complex operations intuitive and quick; and enhancements to interactive plotting.

Innovative features for education include a new student multivariate calculus package including computational routines, topic-specific visualisation, and innovative Maplet-based tutors.
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Data visualisation for developers |Jun 04|

Tecplot, which develops data visualisation software, has released Tecplot Edge 2.0, a data visualisation product designed for application developers.

A customisable version of Tecplot that can be easily integrated with other third-party applications, Edge allows developers to integrate proven XY, 2-D and 3-D plotting capabilities into their solver, simulation code, or analysis application.

The software differs from low-level graphics libraries in that developers get access to a complete visualisation application out of the box.
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CFD flow analysis simplified |Jun 04|

The CD adapco Group has released STAR CCM+, a next generation CFD (computational fluid dynamics) code for flow analysis.

According to the company, the code offers outstanding ease-of-use delivered through an object-based tree-structured GUI, which guides users through the set-up and analysis of a CFD problem. Using the latest numerical algorithms, including a pre-conditioned coupled and segregated solver, and state-of-the-art software coding, it brings new accuracy, reliability and flexibility.

STAR CCM+ can import meshes from any leading grid-generation system.
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MATLAB new release |Jun 04|

The MathWorks has brought out a major release of its flagship products, MatLab 7 and Simulink 6.

With new tools for rapid, iterative program creation, MatLab 7 offers built-in support for integer and single-precision floating-point math, as well as language features that provide the ability to manage and work with larger data sets. A large number of optimisations across data types, operators, functions, and hardware have been made to improve the performance of end-user applications.

Also new is an enhanced MatLab Compiler that now supports the full MatLab language, enabling developers to deploy many more applications that run independently of MatLab. Engineers can deploy their MatLab work to end-users as self-contained applications, or incorporate their algorithms and other modules into environments such as Excel, C/C++, and COM.

The Mathworks' software for simulation and embedded system development, Simulink 6, brings Model-Based Design to complex projects encompassing large models and multiple design teams. Model-Based Design improves the process for design, implementation, and verification across workgroups.

MatLab 7 features a redesigned desktop that includes new programming and debugging tools, automatic creation of code quality reports, and publishing of code and graphics directly to HTML and Word. New interactive point-and-click plotting tools enable faster and easier creation of MATLAB graphics, including the ability to generate code that recreates plotting sessions automatically, for later use or redistribution. Pricing starts at $1,900.

With Simulink 6's new component-based modelling and unified data management capabilities, design teams can now work efficiently on multiple configurations and subsystems within and across organisations. This new capability provides enhanced performance and responsiveness for engineers building, simulating, and optimising large models containing thousands of parameters and blocks.

The new version of Simulink also enables engineers to model, simulate, and implement more types of applications. Pricing starts at US$2,800.

Genetic Algorithm
The MathWorks has also introduced its new Genetic Algorithm and Direct Search Toolbox for use with MatLab. Engineers and scientists are constantly looking for approaches to find optimal solutions, perform trade-off analysis, balance multiple design alternatives, and quickly incorporate optimisation methods in their algorithms and models.

The toolbox serves as a central access point for the tools required to use genetic and direct search algorithms. Additional features include:

  • Graphical user interfaces and command-line functions for quickly setting up problems, setting algorithm options, monitoring progress, and refining optimisation;
  • Genetic algorithm tools with numerous options for creation, fitness scaling, selection, crossover, and mutation;
  • Direct search tools for defining mesh size, polling technique, and search method.

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Virtual EM testing |Jun 04|

The ESI Group has launched PAM-CEM Solutions 2004, a comprehensive software suite for virtual testing of complex electromagnetic phenomena. The software analyses electromagnetic compatibility and interference problems in a wide frequency range. It includes CRIPTE, for induced phenomena on cable networks, and SYSMAGNA, for low-frequency analysis.

It provides a fully realistic EMS (Electromagnetic Susceptibility) analysis at the early design stage, including simulation of 3D radiated fields and induced effects on the vehicle cable networks. With the proliferation of complex on-board electronic equipment throughout the transportation industry, controlling electromagnetic disturbance is critical to performance and security.

With the new release, time-domain radiated fields can be calculated through finite difference algorithms for fast evaluation, or accurately computed using advanced modelling with 3D finite element formalism. Both options are automatically coupled with CRIPTE.

PAM-CEM Solutions 2004 is available on Unix workstations from HP, IBM, SGI, and Sun, as well as vendor-supported Linux platforms.
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Managing chemical inventories |Jun 04|

Labtronics has introduced Nexxis CIM, a Chemical Inventory Management system that guarantees the accuracy of the data being recorded and provides full control over inventories. It collects inventory related data directly from laboratory instruments. For example, when a technician weighs out a chemical, the weight is transferred directly from the balance to Nexxis CIM, where it is automatically deducted from the inventory. This level of automation leaves no room for error or omission when updating inventory data.
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Colourfast imaging |Jun 04|

Media Cybernetics, which specialises in scientific image analysis software, has released Color-Pro Plug-in Module for colour management.

A common concern in microscopy imaging is that the colours viewed on a computer monitor are seen differently through the eyepiece. The new module allows users of Image-Pro Version 5.0 to manage the colour display and see accurate colours across their imaging systems.

The module installs an International Colour Consortium (ICC) colour engine into Image-Pro products. It allows ICC profiles for input devices, display devices, light sources, and output devices, to be corrected automatically or applied to collected image files to maintain accurate colour rendering. This plug-in also contains a GretagMacbeth Eye-One Monitor Profile Package, allowing users to calibrate their display as well as create an ICC profile for their PC monitor or LCD display.
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Motion analysis of single or multiple objects |Jun 04|

Soft Imaging System has brought out an extension to its analySIS system, called trackIT!, for analysing object motion and migration.

Motion analyses are of huge interest across science. One example is cell biologists researching the migration of cells and transport processes of vesicles and single molecules.

trackIT! offers both single-object tracking and multi-object tracking within an image stack. The acquisition of an image stack with regard to area and time is executed via the analySIS imaging software. This software makes it possible to operate microscopes, motorised stages, and digital cameras automatically. The acquired image stack can be directly archived in the integrated database along with the analysis data.

The software offers several features for analysing and graphically displaying the object trajectories determined with regard to velocity, direction, and track length. Track-time diagrams, velocity, direction and distance distributions can be determined via this data.
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Spotting 2-D gels |Jun 04|

Newly updated 2-D electrophoresis-gel image-analysis software, available from Amersham Biosciences, is intended to address critical bottlenecks of image analysis in proteomics research.

The new spot detection and matching algorithms of ImageMaster 2D Platinum 5.0 facilitates the extraction of statistically valid differences between groups of 2-D gels, while requiring minimal user intervention and therefore speeding up analysis time. Integrated with LabScan 5.0, a newly developed 2-D gel scanning tool that transfers images to ImageMaster 2D Platinum 5.0, this 2-D image analysis suite manages the entire workflow from image acquisition to the discovery of biologically important proteins.

This new version is the second 2-D software product to be launched as a result of the alliance between Amersham Biosciences and Geneva Bioinformatics (GeneBio) SA.
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New chemistry database - XPharm - from MDL |Jun 04|

MDL Information Systems (MDL) has introduced xPharm, new database that offers researchers comprehensive information on targets, disorders, agents, and principles.

The information in xPharm, including summaries for non-specialists and detailed views for experts, allows researchers to apply an understanding of interactions and relationships between compounds and biological systems early in the discovery process.

Topics in the database are linked hierarchically to allow researchers to obtain general overviews or detailed information depending on their needs or prior knowledge of a topic.
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Lab management on the Web |Jun 04|

Expanded ChemOffice WebServer applications from CambridgeSoft are now available for biotechnology, pharmaceutical, and chemical firms to manage extensive research data. These electronic systems organise records and documents using a Web-based scientific application development and deployment system that works with standard internet communication protocols, leading storage systems such as Oracle Cartridge and SQL Servers.

E-Notebook Enterprise streamlines the daily record-keeping of research scientists. Notebook pages consist of Excel spreadsheets, Word documents, ChemDraw drawings, and spectral data, and can be searched by text and structure.
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Data analysis reaches further |Apr 04|

Noldus Information Technology has released version five of its data analysis package, Theme. Theme finds patterns in sequential data sets, and is applicable in a wide variety of scientific fields.

Theme is a tool for the detection and analysis of patterns in time-based data. According to Noldus, it finds relationships that human observers typically overlook and commonly-used statistical methods cannot find. Theme uses a unique pattern detection algorithm that was especially designed for behavioural research. It gives insight into the structure of behaviour in time, and gives measures for its complexity and organisation.

Theme has been successfully applied in a broad range of fields, including psychology, zoology, neuroscience, and sports science. Theme automatically finds patterns in series of behavioural events, based on regularities in the timing that will not be detected when inspecting raw data or graphs. Other behaviour occurring at the same time makes them invisible to statistical methods such as lag sequential analysis or Markov analysis.
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A fast way to get equations on the Web |Apr 04|

New MathType 5.2 from Design Science is a powerful, interactive tool that streamlines the creation of print and web-based documents containing maths. It works with any word processor, presentation or page layout program, HTML-authoring tools and with other types of software, to create equations for research papers, class materials, web pages, slide presentations, journal articles and books.

MathType is the professional version of Equation Editor included in Microsoft Office and other products. The professional version has extra features to let users create a wider range of equations for a wider range of documents, and help them work much more efficiently.

Latest feature highlights include new MathPage technology that lets users convert entire Microsoft Word documents to Web pages. MathType converts mathematical symbols and equations into GIF images or MathML, which automatically appear in any modern Windows, Macintosh, Unix and Linux browser. The GIF equations are of a higher quality than the jagged-edged equations created when converting Microsoft Word documents to HTML.
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Statistical inferences with any data |Apr 04|

Cytel Software has released StatXact version 6, for exact, distribution-free inference with continuous or categorical data. The software is used in biostatistics, epidemiology, psychiatry, sociology, environmental science, and other fields where experimental data are gathered and interpreted under uncertainty. Version 6 has 40 new features, including exact Cochran Mantel-Haenszel tests, additional tests for exact power and sample size, confidence intervals and odds ratios. It is especially strong for analysis of stratified and categorical data, and now includes Cytel Studio, a suite of graphics and basic statistical tests.

StatXact provides a complete set of exact hypothesis tests, exact confidence intervals, and exact power or sample size calculations. Most statistical packages rely on large-sample assumptions for their inferences; this can lead to incorrect conclusions if the data sets are not normally distributed. StatXact makes no assumptions; data sets can be small or large, balanced or unbalanced, sparse or dense, or in the form of contingency tables with small and zero cell counts. StatXact utilises powerful numerical algorithms that make exact inferences by permuting the data that were actually observed, thus eliminating the need to make distributional assumptions.
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Non-linear maths software suite |Apr 04|

MathRevolt has produced version 1.2.6 of its package for solving maths analysis tasks. 'Infinity' is an advanced mathematical modelling application, not only for scientific calculations, but also for applied math modelling in business and engineering. Intended for users with basic maths knowledge, the PC-based application is suitable for serious scientific calculations. Ease of use and a strong visualisation module allow for on-the-fly updating.

Pavel Mikhailov, CEO of MathRevolt, said: 'As we have studied the market, we found there are two types of solutions: those that are overloaded with functionality that is never actually used; and those that have nothing to offer. When creating Infinity, our goal was to come up with a software solution that would offer both speed and precision, be easy to use, and priced reasonably.'
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Computer-aided modelling of laser cavities |Apr 04|

LAS-CAD GmbH has developed PC-based software to model complex thermal lensing processes in laser resonators. It can simulate all the interactions between thermal and optical parameters to show modal patterns, and cavity stability, especially for diode-pumped solid-state laser design.

Finite Element Analysis is used to compute the temperature distribution, deformation and stress in laser crystals and materials affected by pumping geometries and cooling techniques. This powerful tool can model both end-pumped and side-pumped rods, disks, slabs and thin disk lasers.

LASCAD will quickly show beam quality and propagation as the user makes small adjustments on screen. This powerful programme can save serious time and labour in optimising laser resonator design.
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Oil reservoir modelling |Apr 04|

Tecplot, which develops data visualisation software, has released Tecplot RS (Reservoir Simulation) Version 4.0, an integrated plotting environment designed specifically for oil reservoir modelling.

Tecplot RS, first released in February 2003, is the result of a collaboration between ChevronTexaco and Tecplot. Focused on the needs of reservoir engineers, Tecplot RS allows data from multiple sources to be loaded and displayed in plots ranging from XY graphs to complex 3-D renderings. The software manages data from multiple reservoir simulators, as well as observed data such as production rates and formation tests.

Version 4.0 has improved: speed of loading of very large data files; data loaders to support new data formats; and plotting tools for grid data. It can load files up to 17 times faster than the earlier version. Previously non-supported data formats can now be plotted by the user. A generic ASCII data loader has been added for user-created observed data files. In addition, Version 4.0 features an enhanced loader for ECLIPSE data files and a brand new data loader for VIP plt files.
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Imaging and optical inspection |Apr 04|

Wells Research and Development (WRD), which develops instrumentation for challenging optical measurement and alignment tasks, has produced PixelScope Professional, a new Windows-based image analysis software package for engineers who need to incorporate live image capture into optical inspection, alignment, or assembly fixtures.

PixelScope Professional supports real-time image capture and display, with zoom down to the pixel level. The software includes tools that perform measurement tasks, including cross-section plots, histograms, and distance measurements. PixelScope Professional requires no programming, allowing the typical engineer to make sophisticated image quality measurements very quickly. The software runs under Windows 2000 or XP and is part of the AlignmentStudio family of optical tools.
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Borehole plotting software |Apr 04|

Golden Software has released Strater, a new well-log and borehole plotting software program. Strater is ideal for graphically displaying depth or interval data for industries, including oil and gas, geophysical, mud-logging, mining, environmental, geotechnical, and many more.

Borehole designs can be customised by creating, editing, and updating illustrative and informative header, footer, and log items in their separate design areas. Strater includes 12 popular log types: depth, line/symbol, crossplot, zone bar, bar, percentage, post, classed post, graphic, lithology, complex text, and well construction. The properties of any log can be modified and the changes can be seen immediately on the screen. The header and footer areas are ideal to store detailed information about the logs, such as well number, driller, location, drilling method, company name, and company logo.

Strater supports importing data from a multitude of sources (database files, data files, LAS files, ODBC, and OLE DB data sources). Users can import data for multiple boreholes into one data table and then select which borehole data the logs should display.
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LMS introduces PolyMAX |Apr 04|

LMS International has introduced a new integrated modal parameter estimator, PolyMAX, that drastically simplifies the selection of poles, typically the most difficult step in modal analysis, by offering clear stabilisation diagrams.

Modal analysis is nowadays used to assess the structural behaviour of complex structures with high damping, such as a trimmed car body. According to LMS, its PolyMAX suite produces user-independent results and clearer information on the structural behaviour of the model.

PolyMax is integrated in the LMS Test.Lab Structures suite, a complete solution for modal analysis, combining high-speed multichannel data acquisition with a suite of integrated testing, analysis, and reporting tools.
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Materials analysis imaging software |Apr 04|

Soft Imaging System has developed analySIS inclusions, a new package for its materials-analysis software series, whch conducts analyses of non-metallic inclusions according to DIN, ASTM and JIS standards.

analySIS inclusions works with a field of view of any size. The only limitations to examining macroscopic specimen surfaces are the dimensions of the stage being used. When an inclusion covers more than one field of view it is automatically recognised as a single particle and reconstructed.

Classification differentiates between sulphidic and oxidic inclusions. Oxidic inclusions are also subdivided into dissolved, striped and globular oxides. Inclusions are classified in accordance with ASTM E45, DIN 50602 and JIS G-555. Standards can be added at any time.

In addition, analySIS inclusions conducts image chart comparisons, to compare charts onscreen with the camera showing a live image. Each reference image can be assigned characteristic data - numbers and text (e.g. grain sizes and type classifications). When making comparisons, this data can be transferred to the results sheet, simply by clicking the mouse button.

Surfaces, sizes and shape parameters of all kinds can be completely defined for each particle. Particle detection supports analysis of multiphase objects, which means when evaluating porous materials, both pores and grains can be investigated simultaneously.
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Managing chemical data made easier |Apr 04|

Advanced Chemistry Development (ACD/Labs) has released version 8.0 of ACD/ChemFolder, providing enhanced searching, retrieving, and reporting capabilities for managing chemical data from various instruments and analytical devices.

Built on ACD/Chem-Sketch and on the company's database interface products, the software allows users to manage thousands of separate files with chemical structures, reactions, and reports, as well as to create and compare databases, predict chemical properties, and group and analyse data using advanced graphical presentation.

ACD/ChemFolder contains a powerful search system for retrieving records by property and structural attributes, including substructure, structure similarity, stereoisomers, and subreactions.

New to version 8.0 is the ability to search by case-sensitive text strings within user notes and data fields. Version 8.0 also offers a facility to use a customised database screen layout as a search form to specify new and existing search parameters.
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National Instruments simplifies reporting |Apr 04|

National Instruments has added Report Generation Toolkit 1.1 to its software, incorporating Express technology introduced in LabView 7 Express, to speed the creation of Microsoft Excel and Word reports.

The Toolkit features the new Microsoft Office report Express VI, which engineers and scientists can use to interactively configure reports without low-level ActiveX programming - from summarising manufacturing test results to compiling process statistics. To configure the software, engineers simply choose their desired options, such as template, content layout and destination, using interactive configuration dialogue boxes that require little or no programming.

They can populate existing report templates, customise templates as a function of the data, and extend the toolkit's reporting capabilities, using standard LabView functionality.
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Managing test data |Apr 04|

National Instruments has released DIAdem 9.0, the newest version of its interactive software for managing, inspecting, analysing and reporting test data. DIAdem provides a unified environment for transforming test data into the information needed to drive engineering decisions. DIAdem imports data from industry-standard databases and file formats such as ASCII, binary and Excel, and can handle datasets with more than a billion data points.

Combining data management, visualisation, analysis, and reporting features, DIAdem 9.0 offers engineers the tools they need to extract and analyse their test data quickly and efficiently. New drag-and-drop features make accessing test data easier, and DIAdem includes a built-in Visual Basic Script host that engineers can use to automate their repetitive reporting and analysis tasks.
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Maplesoft tests and measures |Apr 04|

Maplesoft has produced Maple T.A. Release 1.5, the latest edition of its Web-based software for automated testing and assessment. T.A. Release 1.5 is fully integrated with Maple 9, so that users can access the latest innovations in the core intelligent mathematical algorithms, enabling more sophisticated questions for tests. It also includes significant advancements in the Question Bank Editor and Assignment Editor features. Instructors will now be able to define test questions that require more complex answers, and include a variety of display elements.
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ACD goes to version 8.0 |Feb 04|

Advanced Chemistry Development, (ACD/Labs) is releasing version 8.0 of its suite of chemistry software at the Pittcon conference in March. Included in the new release are: mass spectrometry data processing software, MS Manager; ACD/Name for nomenclature of organic compounds, now extended to organometallics and other inorganic structures; UV-IR Manager, to provide enhanced calibration capabilities; and LC Simulator, with the ability to predict analyte pKa values.

MS Manager is an analytical data management system designed to process, analyse and manage experimental or calculated data from single and hyphenated mass-spectrometry techniques. Major enhancements to generic component extraction techniques will simplify and streamline the complex process of finding individual components. Name 8.0 will provide support for the systematic nomenclature of organometallics and other inorganic structures, based on the ability to draw and support coordination bonds through ChemSketch.

UV-IR Manager version 8.0 will provide enhanced calibration capabilities using the Simplisma algorithm (SIMPLe-to-use Interactive Self-modelling Mixture Analysis), a multivariate curve resolution technique that resolves mixture data into pure component spectra and concentration profiles without a priori knowledge of the mixture's composition. Version 8.0 of LC Simulator introduces the ability to predict analyte pKa values prior to method development. Also new to LC Simulator in version 8.0 is the 'Suggest Gradient' tool, which eases the difficult task of selecting a starting point for a new set of experiments.
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ProMetric 8.0 update for next generation displays |Feb 04|

ProMetric 8.0, the newest version of Radiant Imaging's software for display metrology, has a number of features to enable display developers to make more precise and accurate measurements of prototypes and new products. For example, a new three-colour calibration routine significantly improves the accuracy of luminance and illuminance measurements on RGB displays, such as CRTs, LCDs, and LEDs. ProMetric 8.0 also allows calibration at an unlimited number of arbitrary colours for improved chromaticity measurements. This calibration is particularly valuable for development of instrument panel displays, which often contain a number of separate, coloured elements, and may even use a variety of light sources.

ProMetric 8.0 also allows the user to define complex, free-form measurement regions of interest with simple mouse movements. This feature is again helpful for the analysis of instrument panels, which may contain several individually illuminated components that can now be isolated and separately analysed and calibrated. ProMetric 8.0 further facilitates display analysis by showing chromaticity data utilising standard CIE chromaticity diagrams, as well as offering colour and luminance histograms.
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ACD/Labs offers Web library |Feb 04|

ACD/Web Librarian is a web-based analytical data delivery tool from ACD/Labs that enables users to search and retrieve structures, separations, and spectra from a virtual, centralised repository where both public and password-protected databases are posted. Currently offered under ACD/Web Librarian is the 'Public Chromatography Applications Database', containing 1,830 structure-searchable separations by major column vendors.

Web Librarian is an enterprise solution that offers an organisation a fully customisable, browser-based service for viewing databases and files in many formats. Chemists and analysts can optimise their time by gaining unified access to structures and spectra collected throughout the enterprise. Data is displayed in a virtual, centralised repository that is accessible to authorised members of the organisation via a web browser.
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Toolkit integrates virtual instruments with MatLab |Feb 04|

National Instruments has released a maths interface toolkit for its LabView software so that engineers and scientists can now integrate the user interfaces, virtual instrument features and measurement hardware of its LabView 7 Express graphical development software with The MathWorks' MatLab.

Using LabView 7 Express and this new toolkit, engineers and scientists can quickly compile any LabView code into a MEX function, delivering connectivity and advanced measurement analysis to the MatLab environment.

LabView provides access to measurement platforms including PXI and VXI, and advanced communication protocols such as CAN, TCP/IP and GPIB for communication with stand-alone instruments.

Because the converted LabView virtual instruments natively run in MatLab, users can take advantage of the National Instruments Driver Network, which offers more than 2,200 free, downloadable LabView instrument drivers from more than 150 vendors. This toolkit is especially useful for users in industries including aerospace, and automotive, and also for academics.
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Faraday and Amperes from IES |Feb 04|

Integrated Engineering Software (IES) announces the release of Faraday 6.1, the latest version of its 3D eddy current solver. Intended for the design and analysis of magnetic equipment and components, areas of application include: busbars, reclosures, induction motors, charging fixtures, transformers, recording heads, induction heating, non-destructive testing, and skin depth penetration studies.

Key enhancements in Faraday 6.1 include: Variable Surface Transparency; Improved Geometry Healing commands; Improved automatic element generator and node matching; Improved Parametric GUI; and a new multi-physics material editor.

Users can now view a model at different levels of transparency, while the improved geometry healing command simplifies model-building and correction of errors in models imported from CAD files. Mesh generation is faster with an improved automatic element generator, and node matching is automatically enforced, matching 2D triangular element nodes along seams between surfaces, for more accurate simulations.

The launch comes shortly after the release of Amperes 6.1, the latest version of IES's 3D magnetostatic solver. Menus, tools and commands have been improved or introduced, resulting in a more efficient program for the simulation and optimisation of magnetic components and systems prior to manufacturing.

Incorporating linear, non-linear, and permanent magnet materials, Amperes 6.1 is a tool for the design and analysis of magnetic equipment. Applications handled include motors, solenoids, sensors, coils, loudspeakers, MEMS, transformers, magnetic assemblies, magnetic shielding, circuit breakers, magnetising fixtures, recording heads and voice coil motors.
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CFD simulation improves fuel cell design |Feb 04|

The CD adapco Group has released the 'Expert System' software tool, es-pemfc, for optimising PEMFC (proton exchange membrane fuel cell) design for practical automotive and stationary applications. The new tool is 'knowledge based', carrying with it electrochemistry, fluid flow, heat transfer, and geometrical modelling essential for advanced PEMFC design.

Es-pemfc works with Star-CD (the Group's CFD code) as a specialised virtual design, prototyping and testing environment. Typical issues that can be handled include: cooling channel design, water management to optimise humidity and avoid flooding, and design and operation with safe pressure balance across the membrane.
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ESI Group launches virtual prototyping software |Feb 04|

ESI Group has released Pam-Medysa 2G, a virtual prototyping software to optimise design and validate performance of complex mechanical systems. Car manufacturers could benefit from Pam-Medysa 2G to find the optimal design of systems such as continuous variation transmissions or power trains, the company says. In manufacturing industry, mechanical engineers will optimise the performance of complex assemblies such as door openings or seat mechanisms.

Pam-Medysa 2G allows engineers to make critical decisions early in the design cycle, as they use a global approach for fast kinematics simulation but focus, where necessary, on physics properties through a local approach. The structural properties of components are modelled with finite element technology to represent their real-life behaviour. Simultaneously, the remaining parts are driven at system level by fast, rigid-body technology. This scalable mix of technologies drastically speeds up design tuning as engineers iterate collaboratively on components performance until they reach acceptance level.
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ESI Group launches vibro-acoustic software |Feb 04|

ESI Group has released Rayon 2003, a low-frequency vibro-acoustic simulation package for the prediction of the acoustic performance of manufactured products. The release offers two new advanced solvers and full integration with EDS's CAD/CAM solution. The IBEM (inverse boundary element method) solver helps car manufacturers analyse and characterise complex sources such as car engines. The PEM (poro-elastic material) solver allows users to analyse the performance of acoustic components and predict their efficiency in the vehicle.

Rayon 2003 reduces the need for extensive laboratory testing, greatly increases the effectiveness of prototyping and speeds up the product development process, ESI says.

The new IBEM solver relies on Rayon's boundary element module and a robust inverse algorithm. Starting from near field acoustic measurements, the solver automatically computes a very accurate equivalent 3D model of any complex source of noise.

The PEM solver explicitly models layered poro-elastic materials such as acoustic insulation, barriers and trim materials for any detailed structural-acoustic design or geometry that can be modelled with a finite element mesh. The noise engineer can extend that model with the PEM solver to include absorbing poro-elastic components and evaluating their influence and effectiveness on interior sound and on radiated exterior environmental noise.
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Coreco offers new functions for blob analysis and OCR |Feb 04|

Coreco Imaging has released new software that extends the functionality of the core feature set of Sapera Processing, the company's common API for image processing and analysis.

This hardware-independent package now incorporates sophisticated blob analysis routines that provide high-speed measurement of up to 60 different blob features and a powerful OCR (optical character recognition) reader that supports solid, dot matrix, and user-trainable font sets. These new tools join Sapera Processing's image processing and search functions to enable faster application integration and faster execution speed. A new gauging tool will soon be available.

Sapera measures 60 different spatial and greyscale characteristics of a blob, and a multi-level threshold feature allows the software to specify more than one threshold (or more than two classes of grey levels) beyond 'foreground' and 'background'.

Based upon a field-proven character recognition algorithm, Sapera's new OCR toolset is scale and ratio invariant, so that users don't have to re-train the software every time a camera position is changed. The OCR toolset provides support for both solid and dot matrix fonts, and for user trainable characters, including international fonts.
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Voxar delivers unlimited site-wide 3D |Feb 04|

Voxar, which provides image analysis, picture archiving and communications systems (PACS) for biomedical applications, is offering its flagship product, Voxar 3D, in unlimited site-wide and multi-site configurations. This offers customers MIP, MPR and 3D colour volume reconstruction software on every clinical screen across a hospital DICOM network.

During 2003 Voxar installed 17 site-wide 3D licences. The first customers to take advantage of Voxar's multi-site offering are HCA Corporation, South West Florida Division and ERESA, the largest private imaging group in Spain.

The HCA Corporation has purchased an unlimited multi-site licence for their group of 15 hospitals, which stretches from Oak Hill to Naples, Florida, USA.

Sandy Kryos, regional marketing manager, imaging services for HCA commented: 'Voxar was initially purchased for its ease-of-use and affordability. When Voxar presented the concept of an unlimited multi-site 3D licence we immediately saw huge benefits for our radiologists and referring physicians. Multi-site 3D gives each of our facilities in West Florida a competitive edge. Being able to routinely distribute 3D images outside radiology means improved communications, reduced consultation time and, in some cases, increased patient compliance.'
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Syngene launches 'Neutral Fielding' |Feb 04|

Syngene, a manufacturer of image analysis solutions, has released 'Neutral Fielding' on all Genius image analysis systems. This new feature automatically eliminates uneven light illumination and lens distortion effects, to generate more precise images of fluorescent and visible dye-labelled gels.

Neutral Fielding can correct for uneven illumination effects without altering the signal on the gel. This results in an image with a flat, even background, ensuring accurate quantification of true spots and bands. GLP compliance is guaranteed during image capture, since the Genius camera settings provide feedback to the software about each image. The software comes as standard on all models in the Genius range.
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analySIS add-in measures intensities |Feb 04|

Soft Imaging System is now offering sim (stack intensity measurement), an analySIS add-in for the measurement of dynamic changes in fluorescence intensity over space or time in the study of certain cellular reactions and processes. Analysis of the fluctuations of calcium ion concentrations is one example of this. Sim offers data processing, analysis and graphical display for time-lapse stacks and Z stacks.

It is fully integrated with the analySIS imaging software and offers full software control of peripheral devices. This means automatic acquisition of the image stacks to be evaluated. Sim's integrated background subtraction puts all images within a stack at a uniform intensity level before the actual analysis begins.

The user defines which region of the image stack are to be evaluated. Any ROIs (regions of interest) that are defined apply to the entire stack. Stacks are evaluated according to either time or Z distance. The intensity of each ROI can be calculated via the mean or integral of the ROI area. Alternatively, the corresponding delta function can be displayed.
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Grapher 5 from Golden |Feb 04|

Golden Software has upgraded its Grapher 2D and 3D graphing package by streamlining access to, and editing of, all graph items. Four new graph types also give users more options to display their data effectively.

Grapher 5 has more than 100 new features and enhancements to the product line that was introduced in 1986 for scientists, engineers and business professionals. Users can convert their data into one of 26 fully customisable graph types. Two other upgrades are the ability to move plot labels using the mouse to eliminate overlapping and unreadable plot labels; and the ability to rotate 3D graphs interactively.

Grapher 5 imports and exports data files in all popular formats, and its functionality can be integrated with any ActiveX Automation-compatible software. Visual Basic, C++ and Perl scripts can be used to call Grapher to automate repetitive functions.
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TGS to support AMD 64 platforms and Fujitsu-Siemens' Celsius |Feb 04|

TGS, a provider of 3D graphics toolkits and advanced visualisation, plans to support the AMD Opteron and AMD Athlon 64 processor architectures with its professional 3D graphics software product lines, Open Inventor and 'amira', for both Linux and Windows.

Open Inventor is a 3D scene graph API widely used for developing demanding 3D graphics applications. Amira, built on top of Open Inventor, is TGS's flagship visualisation application. Amira enables researchers, particularly in the biomedical field, to focus on interactive analysis, processing, and viewing of three-dimensional scientific data. It can handle 3D imagery from scanning technologies such as CT, MRI, and PET; 3D ultrasound, and 3D microscopy; CAD and polygon models, and vector data for flow visualisation.

Amira allows the accurate reconstruction of 3D models from image data, for surgical planning, prosthesis design, reverse engineering, prototyping, and similar applications. TGS graphics are widely used in microscopy, biology, neuroscience, medical research, geosciences, oil and gas, material science, visual simulation, and engineering.
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Calculating software has simple input format |Feb 04|

Life has just got easier for those studying maths, physics and engineering, with the advent of HiDigit from Binary Things Development.

HiDigit is a comprehensible interface for maths, algebra, calculus, geometry, physics and engineering students, and their teachers. The interface features support for various number systems (binary, octal, hexadecimal and roman). It also features easy handling of logical and bitwise operations (not, and, or, xor, left shift, and right shift) and special financial functions. The main advantage of the software is a simple input format, even for the most complicated formulas. HiDigit operates up to 15 decimals.

HiDigit comes with complete install/uninstall support and a help file. Features include five number systems (bin, hex, etc); full complex numbers support; a 15-digit maximum precision; custom constants and variables; statistical and financial functions; full Undo/Redo and history support; customisable skin-supported interface; and multiple languages support.

Given its emphasis on the educational market, HiDigit 1.1 is designed to run under Windows and costs $19.95 for an unlimited licence.
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Grid computing gets speed boost |Dec 03|

Wolfram Research has increased the performance of its grid computing application with the release of gridMathematica 1.1, which now includes Mathematica 5. The update delivers gains in dense numerical linear algebra, support for sparse numerical linear algebra, large-scale linear programming, arbitrary precision computation, and interprocess communication speed.

gridMathematica can run on any cluster of machines, including Unix, Linux, Windows, and Mac OS X, and requires only TCP/IP connectivity. Version 1.1 capitalises on a new TCP/IP protocol in Mathematica 5 that allows it to communicate at the speed of the underlying network. On most standard networks this means that users will see bandwidth improvements of a factor of 10 and latency improvements of a factor of 200; on faster networks the gains are even higher.

With gridMathematica, simple commands such as ParallelEvaluate, ParallelTable, and ParallelMap can often be used to parallelise sequential codes quickly or develop parallel applications from scratch. gridMathematica supports all common parallel computing constructs.
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Latest enhancement to Mathcad |Dec 03|

Mathsoft Engineering & Education has unveiled its Data Analysis Extension Pack, a major enhancement to Mathcad calculation software. The add-on allows engineers to input data from multiple sources into the Mathcad design environment in order to analyse data patterns.

The add-on features the latest technology in fitting algorithms for faster and more precise solutions. Xavier Colonna de Lega, senior research scientist, Zygo Corporation, said: 'Definitely one of many great additions in this function pack is the new least-square spline functions, which offer a powerful and user-friendly tool for data analysis, interpolation and compression.'
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Modelling performance boost |Dec 03|

Comsol, the Swedish company known for its multiphysics software, has released Femlab 3.0, offering a dramatic leap in performance. The new software is available as a standalone program while still being able to tightly integrate into Matlab from The MathWorks. Fast, efficient solvers and high memory efficiency allow this modelling software to tackle extremely large problems, and its Java graphical user interface can cut days and weeks from the time-consuming modelling process.

Optimised code means it can compute some models 20 times faster while using 20 times less memory.
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KaleidaGraph 3.6 released |Dec 03|

Synergy Software has released its latest version of KaleidaGraph for Windows and Macintosh, adding to the statistical testing capability begun in version 3.5. The addition of ANOVA, five nonparametric tests and four posthoc tests allows researchers to perform common statistical tests without the annoyance of moving data to an additional application.

Upgrades to KaleidaGraph cost $49.95. Platform crossgrades are $75.00. New buyers will pay $180.00 physical and $160.00 electronic for single commercial licences, or $125.00 physical and electronic for single academic licences on an SRP of $249.00. Multi-user licences are available.
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IES releases Electro 6.1 |Dec 03|

Integrated Engineering Software (IES) has released Electro 6.1, the latest version of its multi-method electrostatic design simulation software. It is used for the design and analysis of electric/electronic equipment and components such as insulators, bushings, grounding electrodes, high voltage shields, power transmission lines and telecommunication cables.

Simulations can now be performed using the finite-element method (FEM), or the multi-method hybrid FEBEM, which combines the best features of both the boundary element method (BEM) and FEM.

IES has also released Lorentz 2D EM version 6.2 and Oersted 6.1.

Lorentz 2D EM version 6.2 is used for charged particle optics, ion optics and electron optics applications such as X-ray tubes, electron guns, photomultiplier tubes and ion traps. It too offers a choice of finite elements (FEM), boundary elements (BEM) or the multi-method FEBEM hybrid mode. Full secondary electron emission can now be observed; mechanical forces, such as gravity and mobility, and the effects of mechanical forces have been added; a new way of handling space charge has been developed that can determine the best way to solve a space charge problem without requiring the user's input; and the ability to model magnetic field sources has been coupled with the ability to model electric field sources.

Oersted 6.1 is a multi-method time harmonic eddy current simulation package used for the design and analysis of magnetic equipment and components such as MRI, induction heating coils, magnetic recording heads and induction motors. Forces and torques can now be imported and calculated using the Maxwell Stress Tensor method and models can be annotated with three different types of text - Vector, Label and Annotations.
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DynaEIT solves electrical imaging problems |Dec 03|

Dynaflow has announced the development of DynaEIT, a suite of algorithms for solution of electrical impedance tomography (EIT) problems. EIT seeks to image the interior of an object based on variation of its electrical properties. Using the boundary element method, DynaEIT provides an accurate and efficient set of algorithms for identification of a container's contents.

These algorithms can be applied for medical imaging, multiphase flows encountered in chemical, oil and gas, energy, and aerospace industries, non-destructive evaluation of structures and materials, imaging of underground water paths and container leakage, archaeology, detection of buried objects, chemical reactive flows, and many others.
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Two new versions of CASPOC |Dec 03|

Integrated Engineering Software (IES) and Simulation Research have released two versions of CASPOC 2003 - Standard and Professional. The low-priced Standard version simulates and animates DC converters, DC-AC converters, AC-DC converters, controlled rectifiers, DC converters with control, induction machines with inverters and brushless DC machines. The high-end Professional version offers couplings to various simulation and analysis tools, supports embedded C code export and runs scripts to optimise designs.
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Image analysis software inspects filters and wafers |Dec 03|

Soft Imaging System has introduced analySIS waferInspector and the analySIS filterInspector, two new system solutions for the inspection of blank wafers and circular filters. Both systems offer fully automatic analysis, classification and documentation of defects on wafers, residues, filters or other substrates.

The analySIS waferInspector and analySIS filterInspector provide fast analysis at high resolution. Circular filters 50 mm in diameter are completely characterised within 15 minutes at a resolution of 0.8 ?m with special cameras and motorized stage controllers.

The analySIS filterInspector analyses residues on circular filters fully automatically. This procedure detects the precise number of dirt particles on the entire filter. The circular filter is scanned in its entirety and the images are automatically analysed and classified. Selection of analysis and classification parameters is completely up to the user.
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Synthematix integrates Arthur suite with ACD/I-Lab |Dec 03|

Synthematix and Advanced Chemistry Development (ACD/Labs) have integrated Synthematix's Arthur Suite with the online prediction and search technology, ACD/I-Lab. As part of an ongoing agreement to integrate selected ACD/Labs solutions with Synthematix's Arthur Suite, the integration will address the enterprise-wide deployment of ACD/Labs prediction tools within the Arthur environment. Arthur Suite is a synthetic-chemistry planning environment that enables chemists to build, search, model, and mine synthetic reactions and procedures within a chemistry-centric relational database.

Integrating Arthur Suite with ACD/Labs' Interactive Laboratory, ACD/I-Lab, will enable synthetic chemists to enhance their reaction data with a range of chemical properties. Arthur users will gain the capacity to predict the physico-chemical properties of their molecular structures, predict the multinuclear NMR spectra of their reaction products, and generate chemical names, either IUPAC or CAS Index, to populate their databases with systematic nomenclature.
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ACD elucidator brings automated structure |Dec 03|

Advanced Chemistry Development (ACD/Labs) and JEOL USA have integrated JEOL's Delta NMR and ACD/Structure Elucidator software packages, resulting in a complete system to combine data collection and structure elucidation for automatically determining molecular structures.

By directly coupling reduced NMR spectrometer output from JEOL's Delta software to ACD/Structure Elucidator, the time spent on NMR structure determination is now reduced from several days to hours or minutes, and the chemist is provided with a range of possible structures for a compound that might otherwise be overlooked.

Through a unique set of algorithms, ACD/Structure Elucidator enables scientists to determine the chemical structure of unknown compounds using data acquired from their NMR spectrometer or a combination of analytical devices.
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Thermo Electron adds to portfolio |Dec 03|

Thermo Electron Corporation has added the OMNIC-format libraries to its solution for the management and searching of spectral libraries. Spectroscopists can now perform wide-ranging searching using only Thermo's Spectral ID program. More than 50 FT-IR and Raman spectra collections are now part of Thermo's portfolio, which also includes Chemical Concepts, John Wiley, and NIST. Most are available in high-resolution format, with spectra measured at 4 wavenumber (4 cm-1) optical resolution and with data values expressed in 16-bit representation.
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Chemistry recorder handles workflow |Dec 03|

The Advantage Series 3400 process chemistry workstation from Argonaut Technologies includes a new interactive device, the Chemcorder workflow replicator, which documents manual processes and captures data electronically. Data and instructions can be easily input and reaction schemes reviewed and revised in-real time, removing the need to abort, clean-up and restart an automated run. The software interface has been designed to replicate the chemist's workflow.

Features of the 3400 workstation software application include: colour coded reactor and process identification; one-step dialog box for process control information; graphical representation of reactor conditions; standard Windows reporting, file saving, and file transfer; individual and multiple reactor control from one screen; real time reporting of temperature, pressure, pH, agitation rate and torque, and heat flow (calorimetry).
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LMS introduces 4-channel version of Pimento |Dec 03|

LMS has introduced a 4-channel entry-version of the LMS Pimento, its ultra-compact PC-based noise and vibration analyser. The LMS Pimento now combines the power of a professional portable system with an attractive entry-level pricing. The LMS Pimento 4 channel system qualifies the noise or vibration performance of manufacturers' products, and analyses the root cause of problems with the dynamic behaviour of designs.

LMS Pimento covers a range of noise and vibration applications - from general-purpose data acquisition and DSP, to specific modules for acoustics, structural testing, and rotating machinery analysis. Pimento also offers specific modules that support qualification-testing procedures for outdoor equipment, and sound power measurements on computer and business equipment.
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Titian launches Mosaic sample management software |Dec 03|

Titian Software's Mosaic sample management software suite tracks compounds and reagents, and manages the processes that prepare them for drug screening.

Primary and secondary screening are highly complex and expensive procedures. Compounds and reagents need to be retrieved from disparate stores and then taken through numerous manual and automated processing stages such as weighing and liquid handling, before the screening assay can take place. Mosaic is a web-based software package that controls all of these activities.

Mosaic modules are available for sample ordering, automated storage and manual storage, weighing, flexible liquid handling, and plate replication.
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LabVIEW Express in new languages |Dec 03|

National Instruments' LabVIEW 7 Express, the most significant upgrade in 10 years to the company's industry-standard graphical development environment, is now available in French, German and Japanese. In addition, LabVIEW documentation is available in Korean for the first time. With localised versions of LabVIEW 7 Express and software documentation, French, German, Japanese and Korean-speaking customers can easily learn and use the new features of LabVIEW such as Express VIs and a redesigned data acquisition interface, greatly reducing the complexity of creating measurement and automation applications.
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