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.. -*- coding: utf-8 -*-
.. mmcif_pdbx documentation master file, created by
sphinx-quickstart on Tue Jul 7 18:59:55 2020.
You can adapt this file completely to your liking, but it should at least
contain the root `toctree` directive.
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 :mod:`pdbx`.
More information about the :mod:`pdbx` module can be found in the :ref:`api-label` 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 <https://pypi.org/project/setuptools/>`_, ``pip install .``, or via `PyPI <https://pypi.org/project/mmcif-pdbx/>`_.
-------
Testing
-------
The software can be tested with `pytest <https://docs.pytest.org/en/stable/>`_ by running::
python -m pytest
from the top-level directory.
----------------
More information
----------------
More information about this software can be found in `the documentation <https://mmcif-pdbx.readthedocs.io/>`_.
Guidelines for community behavior are provided in the `code of conduct <https://github.com/Electrostatics/mmcif_pdbx/blob/master/CODE_OF_CONDUCT.md>`_ and information on contributing to the software is provided in our `contribution guide <https://github.com/Electrostatics/mmcif_pdbx/blob/master/CONTRIBUTING.md>`_.
------------------
Indices and tables
------------------
* :ref:`genindex`
* :ref:`modindex`
--------
Contents
--------
.. toctree::
:maxdepth: 2
api/index
changelog
|
