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Molecular Graphics

Molecular Graphics. David S. Goodsell The Scripps Research Institute. Irving Geis Richard Dickerson. Roger Hayward Linus Pauling. Julian Voss-Andreae. Visual Metaphors Displays and Coordinates Aesthetic Choices Atoms to Cells. Visual Metaphors What does a molecule look like?.

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Molecular Graphics

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  1. Molecular Graphics David S. Goodsell The Scripps Research Institute

  2. Irving Geis Richard Dickerson Roger Hayward Linus Pauling

  3. Julian Voss-Andreae

  4. Visual Metaphors Displays and Coordinates Aesthetic Choices Atoms to Cells

  5. Visual Metaphors What does a molecule look like?

  6. Wireframe

  7. Backbone and Ribbon (Cartoon)

  8. Spacefilling (CPK)

  9. Solvent Accessible Surfaces

  10. Atomic Affinity Potentials Electrostatic Potentials

  11. Atomic (CPK) Colors

  12. Color by Chain

  13. “Group” and “Structure” Coloring

  14. Protein: Backbone Chain colors Ligands: Spacefilling (CPK) Atomic colors Water: Not shown

  15. Desktop displays are: Interactive Inexpensive High quality Molecular graphics software is: Inexpensive (or free) User-friendly Sophisticated Ribosome large subunit: ~100,000 atoms

  16. 3-D Printing with Rapid Prototyping Technology

  17. Dealing with Coordinates: Biological Units Oxy-hemoglobin PDB entry 1hho

  18. Dealing with Coordinates: Missing Pieces ATP Synthase: PDB entries 1c17, 1e79, 2a7u, 1l2p

  19. The Danger of Defaults

  20. The Seduction of Graphics

  21. Illustrations that span scales from nanometers to microns, for use in education and science outreach.

  22. G protein • Combination of computer-generated and hand-drawn imagery • Colors chosen to highlight function • Spacefilling representation

  23. Applications: Education alpha1-antitrypsin

  24. Applications: Textbook illustrations

  25. Applications: Professional Publications

  26. http://www.wehi.edu.au/wehi-tv/dna/movies/Haemoglobin.mov.gz Drew Berry http://www.wehi.edu.au/education/wehi-tv/dna/movies

  27. Graham Johnson

  28. Graham Johnson

  29. RasMol images from the Molecule of the Month

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