Setting mmCIF Chemical Component Header

Use the reference molecule to populate or replace a residue’s _chem_comp., _chem_comp_atom., and _chem_comp_bond. header information from the input CIF file.

Example

prompt > setchemcomp.py input.cif reference.odb output.cif

Code

Download code

setchemcomp.py

See also

• OESetMMCIFChemCompData function

• OECIFData class