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

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

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

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.

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

Benchmarks for reading and interpreting mmCIF files

Convert in batch CIF files to PDB

Parser for mmCIF files in Nim

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.