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This workshop at Rutgers University discussed the complexities of archiving biological macromolecular models. Key topics included the evolution of ambiguous policies regarding model removal and defining pure versus data-based models. With innovative discussions led by experts in fields like electron microscopy and structural genomics, the workshop explored the needs of both the modeling community and experimentalists in accessing reliable models. Participants addressed the limitations of current theoretical models and the best practices for quality assessment and annotation within the context of the PDB.
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Workshop on Biological Macromolecular Structure Models RCSB Protein Data BankRutgers, The State University of New Jersey
Models in the PDB • Ambiguous policies over the years • Revisit decision to remove models
The Ambiguities • Define line between “pure” models and models based on data • Large experimental spectrum e.g. X-ray, NMR, EM, SAX, FRET models • Homology models especially as derived from structural genomics • Need a way to archive models that is totally compatible with PDB
Background • Models moved to separate directory on FTP site July 1, 2002 • 981 models in archives to date • Models can be search by PDB ID and using a search form specific to models (via ID, author, and title)
Questions • What are the needs of the modeling community with respect to the archiving of models? • What are the needs of the experimentalists with respect to the availability of models? What are the current limitations of theoretically derived models? • How could the scientific community at large be best served with respect to the availability and annotation of models? • What measures, if any, should be used to assess the quality of models?
Topics Topic 1: Summary of types of theoretical models (Discussion Leader: Andrej Sali) Topic 2: Electron microscopy and models (Discussion Leader: Wah Chiu) Topic 3: Structural genomics and models (Discussion Leader: Stephen K. Burley) Topic 4: Current database resources and models (Discussion Leader: Torsten Schwede)