LigPrep

General Information

Short Description: LigPrep generates energy minimized 3D molecular structures.

Category: Computational Chemistry

Installation Information

Version:  20113      Version Date:  2005

Technical support:  Please contact

Terms of Use:  

License Information

Number of Licenses: Part of the schrodinger software interchangable token system, network licenses for use on the Linux Cluster.

Type of License:  Network

Installed Sites: Linux Cluster (scorpio.bc.edu)

Installed Platforms: Linux

Vendor/Developer:  Schrodinger,LLC

Vendor Website:  www.schrodinger.com

Usage Information

To use, first load the glide module by typing:

    module load glide

Documentation

 For information about LigPrep, type:

    ligprep -h

Further information is available from Schroedinger.  Researchers at Boston College may request a logon account at Schroedinger to get access to Ligprep documentation.  Go to www.schrodinger.com, click on "Log On" at the top right, then click on ""Request a Logon Account".