> Chimera's Viewdock can input a mol2 file containing many ligands, and
> determine minimum binding energy for a specific receptor's pocket for each
> ligand. Can OB perform energy minimization of ligands in batch mode (loop)
> and then export all ligands to a single mol2 file?
Sure.
% cat >li
Chimera's Viewdock can input a mol2 file containing many ligands, and determine
minimum binding energy for a specific receptor's pocket for each ligand. Can OB
perform energy minimization of ligands in batch mode (loop) and then export all
ligands to a single mol2 file?
_
