Running docking 3.7

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Revision as of 17:34, 25 February 2014 by Frodo (talk | contribs) (Created page with "To set up directories for docking using DOCK 3.7, use: setup_db2_lots.py <num_dirs> <prefix> /path/to/db2/files Then to start the docking using the queuing system sub...")
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To set up directories for docking using DOCK 3.7, use:

setup_db2_lots.py  <num_dirs>  <prefix>  /path/to/db2/files

Then to start the docking using the queuing system

submit_dock

If you haven't set up SGE or other queuing system, you can still run docking on your local machine.

local_dock

If you have more free CPUs than jobs to run, you can use:

local_dock_atonce

However, if you have more jobs to run than CPUs, you may find this overloads and crashes your computer. Return to DOCK 3.7