OMEGA 3.1.1

May 2019

  • This version of OMEGA has been built using OEToolkits 2019.Apr. The previous version was built using OEToolkits 2018.Oct.

New Features

Users can now use oez as the output format for OMEGA.

Major bug fixes

  • The default for -rotorOffsetCompress is set to true for all modes.

  • An issue that caused OMEGA to generate conformers with an occasional Coulombic collapse in the macrocycle mode for conformations of zwitterionic molecules has been fixed.

Minor bug fixes

  • The default for -enumNitrogen has been changed from true to unspecified so that any user-specified stereo information is not lost by default.

  • The flag -skip has been removed from MakeFraglib.

  • OMEGA calculations no longer repeat an error message.