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

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

👋 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

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

Search PDB by elements.

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