[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.


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