DOCK

The DOCK suite of programs is designed to find favorable orientations of a ligand in a "receptor." It can be subdivided into (i) those programs related directly to docking of ligands and (ii) accessory programs.

Before using DOCK you should read the extensive documentation, either the hard copy in the core user area or online at CSB or the on-line documentation at UCSF, or the local PDF version.
Some runtime instructions can be found in here.

Worked examples can be found in /srv/local/dock/dock_v5.0/demo_3dfr. The 0README file has details on how to run the demo.

To put the executables for DOCK in your path, type the following:

setup dock (or source /srv/local/setup/dock.set)

Note: You must create a dot surface of your "receptor" molecule to use DOCK. We have both MS and DMS here in the CSB core in /srv/local/bin/. These are discussed in the documentation for DOCK but they are separate programs.