Accelrys Releases New And Enhanced Scripting And Workflow Capabilities In Materials Studio 4.2
San Diego CA - Accelrys, Inc. recently announced the release of Materials Studio 4.2, the newest version of its chemicals, materials and pharmaceutical development modeling and simulation platform. Materials Studio 4.2 provides scripting enhancements, new Materials Visualizer tools and innovative workflow capabilities for automating and customizing modeling and simulation tasks in the areas of catalysis, crystallization, polymers and visualization. Materials Studio 4.2 also includes the new products Adsorption Locator and a graphical interface to Gaussian 2003.
The MaterialsScript Application Programmers Interface (API) provides a powerful method for generating complete workflows that integrate multiple components of Materials Studio and can be customized to an individual's research needs. Materials Studio 4.2 extends this scripting capability to include DMol3 and Polymorph Predictor. Incorporating DMol3 into scripted workflows makes it easy to model homogeneous and heterogeneous catalysis, and other complex processes relevant to the chemicals, electronics, automotive, and aerospace sectors. Polymorph Predictor enables researchers to study the packing behaviour of organic molecules in crystalline environments which is crucial towards understanding solid forms in Pharmaceutical Development. In addition, new mesoscale tools allow users to create complex starting morphologies which are critical to understanding the properties of materials at the nanoscale.
Accelrys continues integrating third party collaborative tools such as Gaussian 2003 with the addition of Gaussian Interface which extends the capabilities of Materials Studio by integrating some of the most accurate quantum mechanical methods available. This is especially important for our customer's research efforts in the areas of catalysis, and reaction engineering.
Adsorption Locator is another new module in Materials Studio resulting from the Nanotechnology Consortium which helps researchers understand phenomena of key importance in coatings development, catalysis, gas sensor development, and general materials discovery.
"Materials Studio 4.2 continues to build upon Accelrys' integrated multi-scale modelling and simulation and platform," said Accelrys' President and Chief Executive Officer Mark J. Emkjer. "Creating flexible, customizable and fully integrated scientific business intelligence solutions in the chemical, materials and pharmaceutical development areas allows us to drive our solutions downstream towards the customer's final product."
Key functionality of Materials Studio Reflex can now be accessed within the Accelrys scientific operating platform, SciTegic Pipeline Pilot, environment. Reflex, a comprehensive package for analyzing powder diffraction data, can be used to access important information about a drug sample, such as phase identity, mixture composition, and the degree of crystallinity based on powder X-ray data. This new functionality positions Accelrys to move downstream from drug discovery into pharmaceutical development.
SOURCE: Accelrys, Inc.