OMEGA 6.1.0

Minor internal improvements have been made.

Related Toolkit Information

Omega TK 6.1.0

New Features

• The new methods SetOverlayRMS and GetOverlayRMS have been added to OESliceEnsembleOptions, enabling conformer slicing with in-place RMSD calculation between conformers, with OEConfSlicer and OESliceEnsemble.

Minor Bug Fixes

• OEOmega now properly places carboxylic acids in cis configuration when hydrogen sampling is not performed.

• All conformers generated with OEMacrocycleOmega now properly set the dimensionality of the conformers to 3.

MolProp TK 2.6.6

Minor internal improvements have been made.