Mmcif Python Packages

gemmi

macromolecular crystallography library and utilities

pdbeccdutils

A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dictionary, uses RDKit

pdbecif

A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"

nim-mmcif

Parser for mmCIF files in Nim

moldf

Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.

pdbe-mmcif-validator

Real-time VSCode extension and standalone Python script for validating mmCIF/CIF files against the PDBx/mmCIF dictionary or any CIF dictionary.

molecularnodes

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

pdbrust

A Rust library for parsing PDB (Protein Data Bank) files

pdbe-arpeggio

Calculation of interatomic interactions in molecular structures

mmcif-gen

CLI tool for creating mmCIF files from various facility data sources

contactextractor

Contact Extractor from PDB/mmCIF coordinate files

pdbx2df

Super lightweight and fast mmCIF/PDB/MOL2 file parser into Pandas DataFrames and backwards writer.

pdberellig

Identifies relevant ligands in the PDB

proteofav

Open-source framework for simple and fast integration of protein structure data with sequence annotations and genetic variation