Omega TK 5.1.0

New features

• A new Flipper option has been added to enumerate internally perceived relative stereocenters (e.g., 1,4-disubstituted cyclohexanes). See SetEnumRelativeAtomStereo.

Minor bug fixes

• Stereochemistry of input molecules is now respected more consistently in OEMacrocycleBuilder.

• For SetMacroCycOptions in OEFragBuilderOptions, defaults for SetFragGen, SetFragKeep, and SetStartFactor have been changed to more appropriate values of 50000, 1024, and 20, respectively.

• An issue with the order of loading rules to an existing torsion library with AddTorsionLibrary has been fixed.

• A duplicate entry from the GUBA torsion library has been removed.