The Protein Data Bank ( is an invaluable repository of 3D biomolecular structures. As of writing the database contains 214,791 structures (X-ray, Cryo-EM and NMR) and over 1 million computed structure models. Over the years I’ve written a number of Jupyter Notebooks to access some of the PDB api to automate workflows. I’ll post them all on site eventually but here are the first couple.

Related Posts