OEUpdateMMCIFData

bool OEUpdateMMCIFData(OEMolBase& mol, const OECIFOptions& opts)

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