#pdb

Python package to search/retrieve/filter proteins and protein structures

Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..

Access to Biological Web Services from Python.

Machine‑Learning / Molecular‑Mechanics (ML/MM) hybrid calculator and CLI toolset for Mechanistic Investigation of Enzymatic Reactions.

💻🔀☁️ Cross-platform symbol upload utility and symbol server layout creator for BugSplat

End-to-end Reaction-Path Modeling from PDB Structures Using Machine-Learning Interatomic Potentials

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 Julia package to read, write and manipulate macromolecular structures

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

Identifies relevant ligands in the PDB

Working with molecular structures in pandas DataFrames

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

Node.js bindings for LIEF, a library to parse and manipulate ELF, PE, and Mach-O executables.

Build a Mine-schema database from PDB data. Load PDBj structural biology data into PostgreSQL with RDKit chemical search support.

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