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 to OEThrow.Error.