Quacpac TK 1.6.4¶
New features¶
- The new function OERemoveFormalCharge has been added. This function sets the formal charges on a molecule to zero while maintaining a standard valence state.
- The new function OEGetChargeTypeName has been added. This function returns the corresponding OECharges name for the unsigned int passed in.
Minor bug fixes¶
- The wart symbol has been changed from @ to _ in order to help with parsing SMILES formatting.