[Dock-fans] Scoring without docking

David.Maxwell at di.mdacc.tmc.edu David.Maxwell at di.mdacc.tmc.edu
Tue Aug 9 10:35:36 PDT 2005


Hi Dock-fans,

I know this is not the proper use of Dock, but what are the combination of 
flags to get Dock 5.2 to just score the compounds with the coordinates 
listed in the .mol2 file.  I have tried turning off the "orient_ligand" 
flag, but it doesn't seem to calculate anything.

-Dave

_____________________________________________
David Maxwell, Ph.D.
Senior Research Scientist
Dept. of Experimental Diagnostic Imaging
University of Texas M.D. Anderson Cancer Center
8012 El Rio St.
Houston, TX 77054
Phone: (713)-563-9963     Fax: (713)-563-0084
david.maxwell at di.mdacc.tmc.edu



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