1. Hauy 1803-- search for building blocks Connection between the physically observable -- crystal facets, and the invisible cause -- subunit stacking

2. 1865 Hoffman and Kekule -- chemistry made tangible Physical Models to organize chemical observation Stoichiometry -- atomic combining ratios valency -- potential for reaction

3. 1900-1950 X-ray crystallography: the development of Structural Chemistry Von Laue -- x-ray diffraction the Braggs -- molecular structure Linus Pauling -- structural chemistry

4. 1953 Watson and Crick Seeing the Unseen -- Data and Model Diffraction to architecture Biology with atomic detail

5. 1970’s -- Electron Density Map fitting -- “Killer App” for 3D graphics Richards Box ca. 1977 Bilder ca. 1977

6. Today’s challenges: Prediction of shape and interactions Protein folding models Shape -based docking Computational drug design

8. The Human Interface -- Are Pictures Enough?  3D Interaction  Stereoscopic Display  Sound -- Aural Display  Virtual Reality -- immersion  Force Feedback -- Haptics  What next?

9. Auto-Fabrication Technologies Stereolithography Laminated Object Manufacture Selective Laser Sintering Fused Deposition Manufacture Inkjet-bound powder printer

10. Auto-fabricated Physical Models for Research and Collaboration 3D computer prints of custom physical representations Multi-sensory vision touch kinesthesia “near field” haptics effective collaborative tool natural, intuitive interactions physical analogue enhanced social interaction Cancer Research P. Vogt Chemical Regulation of DNA J. Gottesfeld Virus Structure J. Johnson Bacterial Virulence L. Craig

11. “Visualization” … Images vs. Solid Prints  Geometric Correctness  Definition of volumes  Mechanical Feasibility  Strength, connectivity  Operational Design & Feasibility  Shape fit, affordances

14. What about computation and information retrieval? Physical Models are nice but …

15. Blending physical and computational molecular models with Mixed or Augmented Reality  combine analogue, digital representations  Intuitive interaction -- object manipulation  Technologies  tracking -- viewpoint, object, lighting  display -- head-mount, projection  shared-space collaboration  embedded sensors, lights, computers

16. PyARTK: a Python interface to ARToolKit Video Stream From Camera markers Find marker 3D Position and Orientation Identify Patterns Position and Orient Object Render 3D object In Video Frame Video stream To Display Virtual ObjectIDs of Patterns Search for markers

17. Acknowledgements  Alexandre Gillet  Michel Sanner  Daniel Stoffler  David Goodsell  Michael Pique  University of Utah  Elaine Cohen  David Johnson  Rich Reisenfeld  University of Washington  Suzanne Weghorst  Mark Billingshurst  William Winn  Tom Furness  Grants:  NIH, NBCR RR08605  BISTI R33EB00798  NSF ITR EIA0121282 http://www.scripps.edu/pub/olson-web/ http://fightaidsathome.org