This project will deliver community-driven, FAIR and provenance-aware structural annotation workflows for PDBe-KB, an ELIXIR Core Data Resource (CDR). Through hackathons engaging IDP, proteomics and 3D-BioInfo communities, project participants will containerise key structural analysis tools as Nextflow modules. The resulting workflows will run on cloud, HPC or local environments and support public and sensitive datasets. The project strengthens ELIXIR’s structural biology infrastructure by expanding PDBe-KB’s computational ecosystem and enabling cross-domain annotation.
Predicted outcomes:
- At least 15 containerised Nextflow modules created and documented
- Three to five reproducible workflows integrated into PDBe-KB
- Training materials, contributor guidelines and TeSS resources
- Four hackathon-linked manuscripts plus an overarching community report
- Five-year roadmap for future structural annotation needs
Duration:
2026 to 2027
