[Dock-fans] dock prep in batch mode?
samuel.flores at yale.edu
Wed May 23 21:22:47 PDT 2007
I just downloaded Dock 6 and found the example surprisingly trouble
free. However for my application I will need to automatically
prepare lots of enzyme and ligand files and dock them. The only part
of the procedure that I don't know how to automate is the Dock Prep.
The tutorial requires clicking through a GUI. Yes, I could just
write scripts to remove hydrogens, rename residues, etc .. but
hopefully I won't need to do that. Is there a command line
executable version of Dock Prep?
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