# mmcif_pdbx

This is yet another PyPI package for http://mmcif.wwpdb.org/pdbx-mmcif-home-page.html. It emphasizes a simple and pure Python interface to basic mmCIF functionality.

The canonical mmCIF Python package can be found at https://github.com/rcsb/py-mmcif. It is full-featured and includes C/C++ code to accelerate I/O functions.

This package provides the module `pdbx`. More information about the `pdbx` module can be found in the API reference section.

## Origin of this software

All of the code in this repository is based on http://mmcif.wwpdb.org/. Specifically, this code is directly derived from http://mmcif.wwpdb.org/docs/sw-examples/python/src/pdbx.tar.gz linked from http://mmcif.wwpdb.org/docs/sw-examples/python/html/.

See http://mmcif.wwpdb.org/docs/sw-examples/python/html/ for more information about this package, including examples.

## Versions

Versions 0.* maintain API compatibility with the original code. Subsequent versions break that compatibility, primarily by renaming methods in compliance with PEP8.

## Installation

This python package can be installed via setuptools, `pip install .`, or via PyPI.

## Testing

The software can be tested with pytest by running:

    python -m pytest

from the top-level directory.

## More information

More information about this software can be found in the documentation. Guidelines for community behavior are provided in the code of conduct and information on contributing to the software is provided in our contribution guide.

## Indices and tables

- Index

- Module Index

## Contents

- API reference
  - Basic functions
  - Input-output classes
  - Data structure classes
  - Error-handling classes
- Change log
  - v2.1.0 (26-Apr-2026)
  - v2.0.1
  - v2.0.0 (15-Dec-2020)
  - v1.1.2 (01-Aug-2020)
  - v1.1.1 (11-Jul-2020)
  - v1.1.0 (11-Jul-2020)
  - v1.0.0 (07-Jul-2020)
  - v0.0.1 (05-Jul-2020)