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mmcif-pdbx

Python utilities for PDBx/mmCIF storage model

With conditionsPyPI Bio-InformaticsReleased Apr 2026429.4K downloads / moCC0-1.0Pure Python

Decision gist · record as of 2026-08-14

pure-Python wheel — mmcif_pdbx-2.1.0-py3-none-any.whl
v2.1.0 · released 2026-04-26 · Python >=3.10

Yes, if you need basic mmCIF parsing in pure Python with no external dependencies. The permissive license, active maintenance, and support for current Python versions make it a low-risk choice. Choose the canonical py-mmcif package instead if you need advanced features or performance optimization for large-scale structure processing.AI-flagged interpretation of the facts on this page — verify before relying

Before you install

  • Requires Python 3.10 or later.
  • Low friction installation with no runtime dependencies.
  • Actively maintained with recent releases; supports current Python versions (3.10–3.13).

License · maintenance · safety

CC0-1.0 (permissive) — Licensed under CC0-1.0 (public domain equivalent), permissive treatment. No restrictions on use, modification, or redistribution for any purpose.

last release 2026-04-26 (110 days) · last repo commit 2026-04-26 · 9 stars

0 known vulnerabilities (OSV.dev, 2026-08-14) · 429,380 downloads/mo, #6,739 on PyPI

Verify before relying

pip install mmcif-pdbx

import mmcif.io
reader = mmcif.io.PdbxReader('structure.cif')
reader.read()
  • Whether the package's API has stabilized since version 2.0 or if further breaking changes are expected.
  • Performance characteristics when parsing large mmCIF files compared to the canonical py-mmcif package.
Same gist for agents: .md · .json

What it is and what it does

mmcif-pdbx is a lightweight, pure-Python library for working with PDBx/mmCIF molecular structure files—the standard format used by the Protein Data Bank to store macromolecular structure data. It provides utilities to read and parse these files into Python objects, making structural biology data accessible without compiled dependencies.

The package is derived from the official mmCIF examples but prioritizes simplicity and PEP8 compliance over the feature completeness of the canonical py-mmcif package. It has no runtime dependencies, making it easy to integrate into projects that need basic mmCIF functionality. It is actively maintained and supports modern Python versions.

Use it for

  • Parse PDB structure files in mmCIF format for structural biology analysis pipelines.
  • Extract molecular coordinates and metadata from PDBx files in research or educational contexts.
  • Build lightweight bioinformatics tools that need mmCIF support without C/C++ acceleration overhead.
  • Integrate mmCIF data handling into Python applications where dependency minimalism is important.
  • Prototype or test structural data workflows before committing to a heavier framework.

Worth the install?

AI-flagged interpretation of the facts on this page. Verify before relying on it.

With conditions

Yes, if you need basic mmCIF parsing in pure Python with no external dependencies.

The permissive license, active maintenance, and support for current Python versions make it a low-risk choice. Choose the canonical py-mmcif package instead if you need advanced features or performance optimization for large-scale structure processing.

Install

mmcif-pdbx on PyPI

Before you install

Low friction installation with no runtime dependencies. Actively maintained with recent releases; supports current Python versions (3.10–3.13). Repository shows modest but steady activity.

Requires Python 3.10 or later.

License in practice

Licensed under CC0-1.0 (public domain equivalent), permissive treatment. No restrictions on use, modification, or redistribution for any purpose.

Quickstart

pip install mmcif-pdbx

import mmcif.io
reader = mmcif.io.PdbxReader('structure.cif')
reader.read()

Verify before relying

  • Whether the package's API has stabilized since version 2.0 or if further breaking changes are expected.
  • Performance characteristics when parsing large mmCIF files compared to the canonical py-mmcif package.

Package facts

LicenseCC0-1.0 permissive
Python supportSupports the current Python release >=3.10
Install frictionLow. Pure-Python wheel
Runtime dependenciesNone
MaintenanceActively maintained 110 days since the last release
Last repo commit
First released
Downloads429,380 / month, #6,739 on PyPI 30-day window, as of 2026-08-14
Known vulnerabilitiesNone known OSV.dev, checked 2026-08-14
Classifiers
Development Status :: 4 - BetaEnvironment :: ConsoleNatural Language :: EnglishOperating System :: OS IndependentProgramming Language :: Python :: 3Programming Language :: Python :: 3.10Programming Language :: Python :: 3.11Programming Language :: Python :: 3.12Programming Language :: Python :: 3.13Topic :: Scientific/Engineering :: Bio-InformaticsTopic :: Scientific/Engineering :: Chemistry

Evidence: mmcif_pdbx-2.1.0-py3-none-any.whl

Tags

Capabilities
mmcif pdbx parserprotein structure file formatpdb data parsingmolecular structure datammcif dictionarypdbx utilitiesstructural biology data
Topics
structural-biologybioinformaticspure-python

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See also mmcif · modelcif · pdb2pqr · ihm · gemmi · biotite · mrcfile · fastpdb · pinder