Use a Python Package to Access the RCSB PDB Search API

DP
Dennis Piehl
Mon, Feb 19, 2024 6:34 PM

RCSB PDB now maintains a Python package that can be used for accessing our Search API, rcsbsearchapi (https://rcsbsearchapi.readthedocs.io/en/latest/index.html).

The package can be installed from PyPI or by downloading the source code on GitHub (https://github.com/rcsb/py-rcsbsearchapi). This repository will serve as the central hub for all future development, bug fixes, and discussions related to the RCSB PDB Search API package.

With this package, users can perform all the same types of queries they are familiar with from the Advanced Search builder on RCSB.org, all through a Pythonic interface. These capabilities include:

• Structure and chemical attribute search
• Sequence search
• Sequence motif search
• Structure similarity search
• Structure motif search
• Chemical similarity search
• Option to include computed structure models (CSMs) in search

A full overview of these features with examples is available (https://rcsbsearchapi.readthedocs.io/en/latest/quickstart.html). Users are also encouraged to review the examples on GitHub in the README file and Jupyter notebooks (https://github.com/rcsb/py-rcsbsearchapi).

This Python wrapper was developed by undergraduates Rusham Bhatt (University of Maryland Baltimore County) and Santiago Blaumann (Cornell University) under the direction of Dennis Piehl and Brinda Vallat (RCSB PDB) as part of the Rutgers RISE (Research Intensive Summer Experience, https://www.rise.rutgers.edu/).

RCSB PDB appreciates all RCSB PDB API contributors, with special thanks Spencer Bliven for providing the original groundwork for the package, and Rutgers undergraduate Pratyoy Biswas for expanding the work performed during the RISE at Rutgers program.

The Search API and Data API are the two main APIs that power RCSB.org. The Search API retrieves PDB IDs that match given search conditions, while the Data API serves to retrieve data for a given PDB ID. Detailed documentation on RCSB PDB Web Service APIs is available (https://www.rcsb.org/docs/programmatic-access/web-services-overview).

Stay up-to-date with API developments by viewing (or subscribing) to the RCSB PDB API announcements Google group (https://groups.google.com/a/rcsb.org/g/api/about).


Dennis Piehl
RCSB Protein Data Bank
Institute for Quantitative Biomedicine
Rutgers, The State University of New Jersey

RCSB PDB now maintains a Python package that can be used for accessing our Search API, rcsbsearchapi (https://rcsbsearchapi.readthedocs.io/en/latest/index.html). The package can be installed from PyPI or by downloading the source code on GitHub (https://github.com/rcsb/py-rcsbsearchapi). This repository will serve as the central hub for all future development, bug fixes, and discussions related to the RCSB PDB Search API package. With this package, users can perform all the same types of queries they are familiar with from the Advanced Search builder on RCSB.org, all through a Pythonic interface. These capabilities include: • Structure and chemical attribute search • Sequence search • Sequence motif search • Structure similarity search • Structure motif search • Chemical similarity search • Option to include computed structure models (CSMs) in search A full overview of these features with examples is available (https://rcsbsearchapi.readthedocs.io/en/latest/quickstart.html). Users are also encouraged to review the examples on GitHub in the README file and Jupyter notebooks (https://github.com/rcsb/py-rcsbsearchapi). This Python wrapper was developed by undergraduates Rusham Bhatt (University of Maryland Baltimore County) and Santiago Blaumann (Cornell University) under the direction of Dennis Piehl and Brinda Vallat (RCSB PDB) as part of the Rutgers RISE (Research Intensive Summer Experience, https://www.rise.rutgers.edu/). RCSB PDB appreciates all RCSB PDB API contributors, with special thanks Spencer Bliven for providing the original groundwork for the package, and Rutgers undergraduate Pratyoy Biswas for expanding the work performed during the RISE at Rutgers program. The Search API and Data API are the two main APIs that power RCSB.org. The Search API retrieves PDB IDs that match given search conditions, while the Data API serves to retrieve data for a given PDB ID. Detailed documentation on RCSB PDB Web Service APIs is available (https://www.rcsb.org/docs/programmatic-access/web-services-overview). Stay up-to-date with API developments by viewing (or subscribing) to the RCSB PDB API announcements Google group (https://groups.google.com/a/rcsb.org/g/api/about). ----------------------------------------------------------- Dennis Piehl RCSB Protein Data Bank Institute for Quantitative Biomedicine Rutgers, The State University of New Jersey