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Workshop on Biological Macromolecular Structure Models

Workshop on Biological Macromolecular Structure Models. RCSB Protein Data Bank Rutgers, 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

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Workshop on Biological Macromolecular Structure Models

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  1. Workshop on Biological Macromolecular Structure Models RCSB Protein Data BankRutgers, The State University of New Jersey

  2. Models in the PDB • Ambiguous policies over the years • Revisit decision to remove models

  3. 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

  4. 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)

  5. 981 Released Models

  6. 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?

  7. 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)

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