OEDocking TK 1.2.1¶
New Features¶
OEPosit - When full conformer search is turned off, OMEGA is automatically run when the docked ligand is not a 3D conformer.
Major bug fixes¶
OEPosit - Fixed a crash when setting full conformer search to false and docking a ligand with missing hydrogens.
Minor bug fixes¶
Uses of
OEThrow.Fatal
changed toOEThrow.Error
.