Omega TK 4.1.2

Fall 2021

Minor bug fixes

• An issue with overwriting partial charges of atoms in input molecules has been fixed.

• The Generating Stereoisomers example has been modified to use OEFlipperOptions.

• An issue running OEOmega when both OETorDriveOptions.SetUseGPU and OEMolBuilderOptions.SetSampleHydrogens are set to True has been fixed by disabling OETorDriveOptions.SetUseGPU in these cases.