Accelrys Suite

Introduction

Accelrys provides computational and informatics software for researchers working in Bioinformatics, drug discovery and the development of chemicals and materials.
Accelrys software suite is composed of different software products for modeling and simulation , informatics, bioinformatics, cheminformatics and life sciences.

The modeling and simulation products provide complete simulation environment in which, one can create, view, and analyze models of molecules from materials and chemicals to small molecules, DNA to macromolecular proteins while the informatics products enable the storage, management and mining of genetic, biological, chemical and materials data and information.

        

Life sciences modules include products for target identification and optimization, target validation, rational drug design combinatory chemistry, protein engineering, and pharmacophore generation and querying. Informatics tools cover a wide variety of applications and data types across genetics, biology, chemistry and materials science. These tools apply and combine specialist technologies tailored ro specific research problems or the peculiarities of scientific data.

Bioinformatics modules enable research in gene sequence analysis, management of biological and genetic data, whereas Cheminformatics modules enable analysis of chemistry databases and data content, chemistry workflow tools and specialist applications for screening, including ADME/Tox.

Vendor : Accelrys Software Inc.

Supplier : Accelrys KK, Bangalore, India.

Following software products of Accelrys are installed at SERC :

  1. – InsightII 2000.1
    – InsightII 400 P+

  3. – Materials Studio 3.2
    – Materials Studio 6.0

  4. Catalyst
  5. Charmm
License

Type : Perpetual, Network / Floating License.

Manager : Flexlm

Servers :

For MS3.2 license server :- octane2 (octane2.serc.iisc.ernet.in)

For MS6.0 license server :- sunlx1_10 (sunlx1_10.serc.iisc.ernet.in)

Modules :

  1. For all modules other than Materials Studio 6.0
  2. Materials Studio 6.0

     

Software documentation:

1. Each software product has integrated help and tutorials are available as a menu item on the visulaizer window associated with the product. For example, MS-visulaizer -> Help or InsightII -> Help or Cerius2 – > Help, etc. This help pertains to the hosted version of the software.

2. Other than the integrated help software associated documentation is available and accessible on any of the access stations in SERC at the following URL:

Accelrys Documentation Path

file:///home/pkg/lic/acc2004/doc/index.html

[You will need to launch a web browser on the m/c that you have logged into or are sitting at and then go to File-> Open File-> and then navigate to the path given above and open the file.]

3. User can also look for further information at the vendor website at the URL:

http://www.accelrys.com

Report Problems to:

If you encounter any problem in using this software please report to us at the following email address helpdesk.serc@auto.iisc.ac.in or contact System Administrators in 109 (SERC).