[Dock-fans] dock prep in batch mode?

Samuel Flores samuel.flores at yale.edu
Wed May 23 21:22:47 PDT 2007


Hi Guys,

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?

Sam




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