Omega TK 4.2.0

New features

  • Support for consideration of MDL enhanced stereo collection information during isomer generation has been added. The OEFlipperOptions class adds a new SetEnhancedStereo option to control consideration of explicit enhanced stereo groups defined by OEGroupBase information that may have been read from V3000 the OEFormat values indicating SDF structures or CXSMILES files.

  • A new method, SetFragBuilderMode, has been added that allows setting fragment building mode in the corresponding OEFragBuilderOptions.

Minor bug fixes

  • Internal generic data tags applied to the flip-ee used for performance during the flipping activity are now stripped from the structures returned by OEFlipper as this information is no longer relevant.