OESetPDBData

OESetPDBData(mol: Union[OEGraphMol,OEMol,OEQMol], dp: OESDDataPair) -> bool
OESetPDBData(mol: Union[OEGraphMol,OEMol,OEQMol], tag: str, value: str) -> bool

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

• OEAddPDBData function to add multiple PDB data

• PDB Tagged Data Manipulation section

Note

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