#protein-data-bank

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

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

A lightweight Python library for simulating Small-Angle X-ray Scattering (SAXS) profiles from protein coordinates, with Jupyter Notebook examples.

Differentiable biophysical modeling in JAX (SAXS, NMR, CD), with Jupyter Notebook examples.

Generate realistic synthetic 3D Cryo-EM densities from structural models for testing algorithms and training ML models.

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.