OESetPDBData

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

Sets 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, it is replaced with the new value.

See also

Note

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