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.

Indices and tables