OEAddPDBDataΒΆ

bool OEAddPDBData(OEMolBase &mol, const OEPDBDataPair &dp)
bool OEAddPDBData(OEMolBase &mol, const std::string &tag,
                  const std::string &value)

Add a PDB tag and value data pair to a molecule. Both the tag and the value must be a string. If an item with the same tag already exists, another item is added to the molecule.

See also