Accelrys Launches New Suite of Nano Modelling Software Tools

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PostPosted: Wed Nov 16, 2005 10:41 am    Post subject: Accelrys Launches New Suite of Nano Modelling Software Tools Reply with quote

Accelrys Launches New Products That Will Help Scientists Learn More About the Behaviour of Nanomaterials

Today, at its AccelrysWorld annual conference and user event, Accelrys, Inc. announced its second product launch of 2005. Products in the launch will feature expanded deployment of Accelrys' open platform technology that enables the creation of integrated, best-of-breed software solutions for pharmaceutical, chemical and materials researchers.

"We aim to help our customers tackle their most difficult research challenges, and we realize that for many customers this means having a solution that integrates Accelrys software with tools they have built themselves or obtained from other software vendors," commented Accelrys' president and CEO Mark Emkjer.

"By taking advantage of our open platform technology and continuing to integrate our own portfolio into comprehensive software suites, we can help our customers streamline their workflows and focus their time on research and development efforts."

In this launch, Accelrys unveils Discovery Studio (DS) 1.5, the latest version of its comprehensive, easy-to-use suite of life science modeling and simulation tools used by protein modelers, structural biologists and computational chemists for drug discovery and optimization. Open platform technology will power the underlying architecture in this upcoming release, thus enabling the sharing and re-use of information and workflows.

Based on a service-oriented architecture (SOA), DS 1.5 will allow the integration of scientific components developed by Accelrys as well as other third-party software vendors, and components developed by customers themselves. With this release, a commercial-grade life science graphics visualizer - DS Visualizer - will also be made available for free to all users.

For computational and medicinal chemists, command-line access in the pharmacophore model building and 3D database searching program Catalyst 4.11 will enable integration into workflow programs or into tools they've built themselves. On the cheminformatics side, a workflow wizard in the chemistry-enabled spreadsheet Accord for Excel Desktop 6.1 will allow chemists, chemical engineers and medicinal chemists to submit compounds and reactions to predefined data analysis pipelines. Continued development of enterprise-level Accord tool kits will enable IT professionals, software developers and chemists to create applications tailored to meet their specific chemical information management needs.

In the area of materials modeling, the migration of functionality from the Cerius2 and Insight II legacy product suites into Materials Studio (MS) 4.0 will complete a breadth of tools for multi-scale modeling from the electronic to the atomistic to the mesoscale. MS 4.0 will now enable users, including chemists, chemical engineers, analytical chemists, materials scientists, polymer scientists and computational chemists, to solve a wide range of critical research problems in the areas of nanotechnology, catalysis, polymers and crystallization.

Highlights will include a new Sorption module to study the interaction of molecular species in porous materials - an essential feature for gas separations and the petrochemical industry - and a new Reflex QPA module to quantify the relative amounts of different phases in a multi-phase sample based on powder diffraction patterns, a powerful method for analyzing compositions of organic and inorganic materials in the chemical and pharmaceutical industries.

In addition, members of Accelrys' Nanotechnology Consortium will receive a customized version of MS 4.0 that will include new functionality developed in the Nanotechnology Consortium. This new functionality will include nanotube and nanocluster builders, GULP 3.0, as well as ONETEP, a state-of-the-art tool for linear-scaling calculations within density-functional theory to systems containing thousands of atoms.

Accelrys' flexible and open technologies available in these products enable customers who require advice in analyzing and assessing enterprise needs to turn to Accelrys' Solutions Consulting Group. The Accelrys Solutions Consulting Group can design and build customized, cross-functional enterprise solutions in environments that consist of heterogeneous database and computing servers from Accelrys and other suppliers.

Source: Accelrys.


This story was posted on 15 November 2005.
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