OEAddPDBData

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

Adds 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

Note

Unicode characters are not supported neither in the data tag nor in the data value.