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modelcif_utils

This repository contains scripts that support the ModelCIF data representation.

ModelCIF is an extension of the PDBx/mmCIF dictionary.

Scripts

  • utils/alphafold_pdb_to_cif.py takes a PDB file and an AlphaFold pickle file (with pLDDT and PAE scores) to generate an mmCIF file compliant with ModelCIF. The script relies on metadata information (Title, reference sequence information etc.) in the header section of the PDB file. For an example of PDB input file header information, see here.