In case of nmr structure what does mmCIF file contains?
I have added one mmcif file from a nmr structure. Any one please help me understanding the file. I want to know the difference and similarities with mmcif files coming from a crystal structure.
Hi - mmCIF is a historic name when crystallographic files were the only thing around in the PDB. Today, mmCIF describes the macromolecule coordinates and the experimental parameters to get them, no matter what method was used.
So like in an old PDB file, the tokens about data collection and analysis methods will be different, but the coordinate data will be the same. Oh and there will be something about models and ensembles in it too.
I thought we had something more user-friendly to compare between methods, but we don't - yet. I've put in a request to have this addressed. The best I can point you to for now is here: http://mmcif.wwpdb.org/docs/pdb_to_pdbx_correspondences.html