[Chimera-users] Loading multiple ligand mol2 files for AV

Leif Peterson leifepeterson at sbcglobal.net
Wed Sep 26 08:08:28 PDT 2018


Is it possible to load multiple mol2 files, and add H, equlibrate charges, then energy minimize all if the ligands in batch mode, then save all of them to pdbqt files?  Then, loop through all of the ligands using AV on each to get sorted docking results.  Reason I ask is because almost all resources available on multiple ligand use with AD and AV seem outdated, developers moved on, and am hitting dead ends and pages not found.  


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