[Dock-fans] How to score a single pose

Brad Ridder clustro at gmail.com
Mon Apr 2 18:37:50 PDT 2012


Hi DockFans,

Is there a simply way to feed DOCK a pdb file with the receptor + bound
ligand, and have it return a score back for that pose, without doing any
sort of energy minimization? e.g. just give the energy score for that
single pose.

-Brad

-- 
Bradley James Ridder
Chakrabarti Group
Graduate Student
School of Chemical Engineering
Purdue University
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