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