This directory contains a docking example that will demonstrate pose
rescoring of the experimental ligand orientation using Hawkins GB/SA, 
Zou GB/SA, and Zap PB/SA. It will demonstrate sphere generation, 
grid creation, and ligand rescoring.  The demo is meant to provide 
an idea of how the dock programs work.  The values selected for the 
example are customized for this case, and may not be the best values 
for all dockings.

Terry Lang 03/06

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script_demo             This script executes the various steps in the
                        demonstration.  The entire demonstration can 
								take a while, especially the grid generation step.

1_struc/                This directory contains receptor and ligand
                        coordinate files.

2_site/                 This directory contains sphere generation files.

3_grid/                 This directory contains grid generation files.

4_dock/                 This directory contains docking files.

script_clean            This script cleans up (removes) the various files
                        generated during the demonstration.

For more information about the steps involved in generating these files,
go to the tutorials located on the DOCK Web site at 
http://dock.compbio.ucsf.edu/DOCK_5/index.htm. 


