OMEGA 4.2.2

Minor bug fixes

  • Defaults for -warts and -flipper_warts have been changed to False in OMEGA.

  • OMEGA now fails robustly when incorrectly attempting to use -fixsmarts without providing -fixfile or turning -fromCT to false.

Omega TK 4.2.2

Minor bug fixes

  • The OEOmega method Build will now fail when MCS matching is requested but a corresponding FixMol has not been set.

MolProp TK 2.6.2

Minor internal improvements have been made.