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 bothOETorDriveOptions.SetUseGPU
andOEMolBuilderOptions.SetSampleHydrogens
are set to True has been fixed by disablingOETorDriveOptions.SetUseGPU
in these cases.