mmcif-pdbx 1.0.1

Python utilities for PDBx/mmCIF storage model

PDBx/mmCIF Dictionary Resources

This is yet another PyPI package for http://mmcif.wwpdb.org/pdbx-mmcif-home-page.html. Others include:

• https://pypi.org/project/mmcif/ and https://pypi.org/project/mmcif.utils/ -- the author of this package is John Westbrook and the homepage is http://mmcif.wwpdb.org/, which suggests it may be the canonical version. Unfortunately, the PyPI package does not compile on many platforms (e.g., Windows 10 with Python 3.8) and does not provide a repository for pull requests to fix the problems.
• https://pypi.org/project/pdbx-mmcif/ -- this package includes very little documentation and the homepage https://github.com/ostrokach/pdbx is the fork of another repo, which does not inspire confidence in long-term maintenance and bug fixes.

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 version break that compatibility, primarily by renaming methods in compliance with PEP8.