Metadata-Version: 2.4
Name: ciftopdb
Version: 1.0.0
Summary: Convert an mmCIF ('.cif') 3D structure file to PDB ('.pdb') format.
Author-email: Matsvei Tsishyn <matsvei.tsishyn@protonmail.com>
License-Expression: MIT
Project-URL: Homepage, https://github.com/MatsveiTsishyn/ciftopdb
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENCE
Requires-Dist: biopython>=1.75
Dynamic: license-file


# ciftopdb

[![PyPi Version](https://img.shields.io/pypi/v/ciftopdb.svg)](https://pypi.org/project/ciftopdb/) [![License: MIT](https://img.shields.io/badge/License-MIT-green.svg)](https://opensource.org/licenses/MIT)

`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`:
```bash
pip install ciftopdb
```

CLI usage:
```bash
ciftopdb --help
ciftopdb ./test_data/1ACB.cif
ciftopdb ./test_data/1ACB.cif ./test_data/custom_name.pdb
```

Python usage:
```python
from ciftopdb import ciftopdb
ciftopdb("./test_data/1ACB.cif")
ciftopdb("./test_data/1ACB.cif", "./test_data/custom_name.pdb")
```
