PDB Database

Overview

RCSB PDB is the worldwide repository for 3D structural data of biological macromolecules. Search for structures, retrieve coordinates and metadata, perform sequence and structure similarity searches across 200,000+ experimentally determined structures and computed models.

Scripts

scripts/query_pdb.py — RCSB Search + Data + file APIs (stdlib only, JSON to stdout):

python scripts/query_pdb.py search hemoglobin --rows 25     # full-text search (entry IDs)
python scripts/query_pdb.py entry 4HHB                      # entry metadata
python scripts/query_pdb.py download 4HHB --format cif      # download coordinates

When to Use This Skill