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.