https://github.com/electrostatics/mmcif_pdbx

Yet another version of PDBx/mmCIF Python implementation
https://github.com/electrostatics/mmcif_pdbx

bioinformatics biophysics chemistry structural-biology

Last synced: 5 months ago
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Yet another version of PDBx/mmCIF Python implementation

• Host: GitHub
• URL: https://github.com/electrostatics/mmcif_pdbx
• Owner: Electrostatics
• License: cc0-1.0
• Created: 2020-07-05T02:43:43.000Z (about 6 years ago)
• Default Branch: master
• Last Pushed: 2021-04-24T20:27:00.000Z (about 5 years ago)
• Last Synced: 2025-10-21T20:33:25.473Z (9 months ago)
• Topics: bioinformatics, biophysics, chemistry, structural-biology
• Language: Python
• Homepage:
• Size: 2.22 MB
• Stars: 8
• Watchers: 6
• Forks: 2
• Open Issues: 8
• Metadata Files:
  • Readme: README.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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# PDBx/mmCIF Dictionary Resources

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.  

## 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 the original 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.

## Installing this software

This python package can be installed via [setuptools](https://pypi.org/project/setuptools/), `pip install .`, or via [PyPI](https://pypi.org/project/mmcif-pdbx/).

## More information about this software

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).