ciftopdb

ciftopdb is a Python package to convert an mmCIF ('.cif') 3D structure file to PDB ('.pdb') format.
It is basically the biopython convertion with additional metadata convertions and a CLI.
It handles metadata lines such as 'TITLE', 'HEADER', 'SEQRES' and so on.

Note: Convertion will fail if the .cif contains a chain with multiple-character name, as PDB format do not supports it.

Installation and Usage

Install with pip:

pip install ciftopdb

CLI usage:

ciftopdb --help
ciftopdb ./test_data/1ACB.cif
ciftopdb ./test_data/1ACB.cif ./test_data/custom_name.pdb

Python usage:

from ciftopdb import ciftopdb
ciftopdb("./test_data/1ACB.cif")
ciftopdb("./test_data/1ACB.cif", "./test_data/custom_name.pdb")