Quacpac TK 1.4.1¶
OESetNeutralpHModelhas been added to the Java and Python wrappers.
Bug has been fixed in
OEAssignPartialChargeswhere it sometimes did not return false after a failure to assign charges. Now this function should always return false if charges are not set.
Fixed tetronic acid rule in
OESetNeutralpHModelto allow matching of aromatic bonds.