The Dock suite of programs addresses the docking of molecules to each other - identifying the low energy binding modes of a small molecule within the active site of a receptor molecule. This program can be used to predict binding modes, search databases of ligands for compounds that bind to a particular target receptor, and to examine binding orientaitons for a given ligand-receptor pair.

• Version: 5.4
• Machines: Arches
• Location: /uufs/arches/sys/pkg/dock/std

Information:

To get details of the functionality of Dock5 along with access to the User's Manual and a Tutorial go to dock.compbio.ucsf.edu. The files used in the tutorial are included in the demo directory in the installation.

To Use:

A csh file that can be sourced to set the necessary environment variables for dock to run is located at:

/uufs/arches/sys/pkg/dock/etc/dock.csh