How to Install Discovery Studio?

The current version of Discovery Studio modeling is 2.1 (DS2.1)

DS2.1 is a comprehensive suite of modeling and simulation software. ABCC users are urged to upgrade to this version. This latest version of Discovery Studio is available for ABCC users to download from ABCC Software Distribution System site: http://pcsoftware.abcc.ncifcrf.gov/ [Note that this link is only available from NCI/NIH domain only].

After logging into the ABCC Software Distribution System link, choose "Scientific Applications" for the Category, and Windows/Linux for Operating Systems.

Relevant files available for download from ABCC Software Distribution System

• Windows: ds21-README.txt, dssetup21_C13087_20080616.exe,
  • Click here to obtain a copy of Windows installation istructions for DS2.0. Please note that the installation instructions for DS2.0 are similar to DS2.1.
• Linux: ds21-README.txt, dssetup21_C13089_20080616.tgz
  • Click here to obtain a copy of Linux installation istructions for DS2.0. Please note that the installation instructions for DS2.0 are similar to DS2.1.

Installation instructions are similar to version 1.7, and are available from /Accelrys/Discovery_Studio/Windows/DS17/ folder. To download a copy, click here.

Accessing ABCC Discovery Studio Server and Catalyst databases:

Please note that ABCC currently have versions 2.0 and 2.1 running on server, xeabc000.ncifcrf.gov but on different ports. We strongly urge users to switch to version 2.1. If for some reason you want to retain version 2.0, please contact us.

To access ABCC server,xeabc000, via DS2.0, do the following:

1. Install DS 2.1 on your desktop
2. Start discovery studio 2.1, File --> Change Server "xeabc000.ncifcrf.gov:9943"

1. Install DS 2 on your desktop
2. Start discovery studio 2, File --> Change Server "xeabc000.ncifcrf.gov:9953"

How to Install Materials Studio?

The current version of Materials Studio 4.2 (MS4.2).

Materials Studio is a comprehensive suite of modeling and simulation software used for studying chemicals and materials, including crystal structure and crystallization processes, polymer properties, catalysis, and structure-activity relationships.

This latest version of Materials Studio is available for ABCC users to download from ABCC PC Software site: http://pcsoftware.abcc.ncifcrf.gov/ [Note that this link is only available from NCI/NIH domain only]. Please note that PCSOFTWARE is a password protected ABCC link. If you dont have the username/password, please contact ABCC Help Desk at helpuser@ncifcrf.gov

After logging into PCSOFTWARE, go to the link, Accelrys/MS_Modeling/ for downloads. Installation instructions are available under /Accelrys/MS_Modeling/Windows/ folder. To download a copy, click here.

Accessing ABCC Materials Studio Server software:

Please note that we support only version 4.2. If you want to run jobs on ABCC Material Studio Server, please contact us.

Any questions, contact Alex Levitsky (levitsky@ncifcrf.gov) or S. Ravichandran at (sravi@ncifcrf.gov)

You can find some of the old Discovery Studio installation instructions here.

1. Discovery Studio version 1.1 (old)
2. Discovery Studio version 1.2 (SBD) (old)
3. Discovery Studio version 1.6 (SBD) (old)

S. Ravichandran, Ph.D.
Scientist
Advanced Biomedical Computing Center
Bldg 430, Room 227
National Cancer Institute
Frederick, MD 21702
Email: sravi@ncifcrf.gov
Web: http://nciiris.ncifcrf.gov/~ravichas
Voice:   301-846-1991
Fax:     301-846-5762