Quacpac TK 2.2.7.3

Major Bug Fixes

  • Bond correction charges calculated with OEBCCPartialCharges, and consequently partial charges calculated using the OEAM1BCCCharges, now properly estimates the correction charges for Indole like molecules where there is a 5-membered ring attached to a 6-membered ring.

Quacpac TK 2.2.7.1

Minor Bug Fixes

  • An issue that retained MDL-enhanced stereogroup information on stereocenters that are destroyed by protonation or bond order changes has been repaired.