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

3. Models in the PDB  Ambiguous policies over the years  Revisit decision to remove models

4. 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

5. 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)

6. 981 Released Models YearHPUBHOLDOBSRELWAITPROC WDRN Total <1999001211000212 19990016500066 20000004500043 20010057600081 2002002184001187 2003001159003163 2004201137302146 200530101041058158 Total32111981135141057

7. 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?

8. 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)