P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

macromolecular crystallography library and utilities

Calculation of interatomic interactions in molecular structures

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

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

Generates images from mmCIF/BCIF files

Benchmarking common tasks on proteins in various languages and packages

Library containing code to manipulate mmCIF and PDB files

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

Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.

📖 mmCIF support for hybrid/integrative models

:wave: Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz

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

Protein Structure Archiver

Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides in the Top8000 PDB data set.

📦 A Command Line Tool for downloading protein structures, sequences and MSAs

Search PDB by elements.

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

Identifies relevant ligands in the PDB

Benchmarks for reading and interpreting mmCIF files

Convert in batch CIF files to PDB

Supports the use of PyMOL in literate programming in org-mode, which is best run in Emacs.

This application is designed to create mmcif files from facilities data.

Documentation for the mmcif Investigation dictionary

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

A small, developer-friendly 3D molecule viewer for the modern web

Parts of Gemmi in WebAssembly.

Program to add sequences and data collection statistics to mmCIF files for PDB deposition

Library for processing RNA structures using PDB, DSSR and other data

Fixes mmCIF protein structure files