P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

macromolecular crystallography library and utilities

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

Benchmarking common tasks on proteins in various languages and packages

Library containing code to manipulate mmCIF and PDB files

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

📖 mmCIF support for hybrid/integrative models

Protein Structure Archiver

Search PDB by elements.

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

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

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

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

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

Benchmarks for reading and interpreting mmCIF files

Parts of Gemmi in WebAssembly.

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

Encode information from a HADDOCK run to a cif file to be deposited in PDB-Dev.

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