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

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.

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

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.

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

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

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

Benchmarks for reading and interpreting mmCIF files

Convert in batch CIF files to PDB

Parts of Gemmi in WebAssembly.

Fixes mmCIF protein structure files