rcsb-api - Query RCSB PDB data from Python

The rcsb-api package provides a Python interface to RCSB PDB API services. Use it to search and fetch macromolecular structure data from RCSB PDB at RCSB.org.

Availability

Get it from PyPI:

pip install rcsb-api

Or, download from GitHub

License

Code is licensed under the MIT license. See the LICENSE for details.

Citing

Please cite the rcsb-api package with the following reference:

Dennis W. Piehl, Brinda Vallat, Ivana Truong, Habiba Morsy, Rusham Bhatt, Santiago Blaumann, Pratyoy Biswas, Yana Rose, Sebastian Bittrich, Jose M. Duarte, Joan Segura, Chunxiao Bi, Douglas Myers-Turnbull, Brian P. Hudson, Christine Zardecki, Stephen K. Burley. rcsb-api: Python Toolkit for Streamlining Access to RCSB Protein Data Bank APIs, Journal of Molecular Biology, 2025. DOI: https://doi.org/10.1016/j.jmb.2025.168970

You should also cite the RCSB.org API services this package utilizes:

Yana Rose, Jose M. Duarte, Robert Lowe, Joan Segura, Chunxiao Bi, Charmi Bhikadiya, Li Chen, Alexander S. Rose, Sebastian Bittrich, Stephen K. Burley, John D. Westbrook. RCSB Protein Data Bank: Architectural Advances Towards Integrated Searching and Efficient Access to Macromolecular Structure Data from the PDB Archive, Journal of Molecular Biology, 2020. DOI: https://doi.org/10.1016/j.jmb.2020.11.003

Support

If you experience any issues installing or using the package, please submit an issue on GitHub and we will try to respond in a timely manner.