OEUpdateMMCIFData

OEUpdateMMCIFData(mol: Union[OEGraphMol,OEMol,OEQMol],
                  opts: OECIFOptions) -> bool

Updates MMCIF header metadata based on the structural data of the input molecule. If metadata already exists, it is replaced with the updated header.

See also

• OEAddMMCIFData function to add MMCIF data

• OESetMMCIFData function to set MMCIF data

• mmCIF Metadata Manipulation section