wwPDB Validation Reports Accessible via API

04/22

Users can now programmatically retrieve wwPDB validation reports data via the RCSB PDB Data API. These reports provide critical quality metrics to assess structure quality.

Access overall quality summary, experimental data fit and completeness, and geometric validation (analysis of bond lengths, bond angles, and other stereochemical parameters) for X-ray, EM, and NMR structures.

Key geometry validation metrics have been added to Advanced Search, allowing users to filter structures based on Molprobity angles RMSZ, bonds RMSZ, clashscore, percentage Ramachandran outliers, and percentage rotamer outliers (example).

New Features Index

• 03/27 Register Now for Crash Course: Python For Cheminformatics-Driven Molecular Docking

• 03/24 Developers: Switch to Sequence Coordinates Service by May 31, 2025

• 03/06 Register for the April 10 Virtual Office Hour on Sequence Annotations Viewer

• 03/04 Take the User Survey on Statistics and Win

• 03/03 Register for March Training Events

• 03/03 Register for the May 8 Workshop on PDB Deposition

• 02/25 Register for the April 7 Virtual Office Hour on Depositing IHM Data

• 02/17 Register Now for Webinar on API Access with Python

• 02/10 Register for the March 13 Virtual Office Hour on Supporting Extended PDB IDs

• 02/02 Register Now for Webinar on Seeing Bird Flu in 3D

• 01/28 Frontiers in Data Panel Webinar: Preparing Structural Science Data for 2085

• 01/23 Developers: Collaborate with RCSB PDB at Rutgers

• 01/21 Watch the Webinar: Unlock Rapid Analyses Across the Whole PDB Using BinaryCIF

• 01/16 wwPDB News: PDB-Dev now PDB-IHM

• 01/12 Paper Published: Updated resources for exploring PDB structures and Computed Structure Models

• 01/05 wwPDB News: Time-stamped Copies of PDB and EMDB Archives