RCSB PDB open-source tools and libraries are designed to help developers, researchers, and data scientists streamline their workflows and enhance data processing. All projects are actively maintained on GitHub, with contributions welcome.

Python API Client

The rcsb-api package provides a Python interface to the RCSB PDB Search and Data APIs (an overview has been published in Journal for Molecular Biology). Use the rcsbapi.search module to fetch lists of PDB IDs corresponding to advanced query searches, and the rcsbapi.data module to fetch data about a given set of structure IDs. RCSB PDB maintains the current version of this package on GitHub, which will continue to be developed to add support for other RCSB.org APIs.

You can find example use cases demonstrating how to utilize this package in scripting workflows in the rcsb-training-resources GitHub repository. These examples provide practical implementations of common tasks, helping users understand how to integrate the package into their own applications. The scripts serve as a reference for building custom workflows using RCSB resources.

Training Resources

The RCSB PDB Training Resources repository offers a growing collection of tutorials, guides, and demonstrations designed to help users leverage advanced and automated approaches for working with PDB data. Whether you're a researcher, developer, or data scientist, these resources provide hands-on examples for efficiently accessing, processing, and integrating structural biology data into your workflows.

Contributions and feedback are welcome as we continue expanding these materials.

Contributing

We welcome contributions from the community! If you’d like to report issues, suggest features, or submit pull requests, please check the contribution guidelines in each repository.