Shake-and-Bake & The Center for Computational Research

3/24/99


Click here to start


Table of Contents

  1. Shake-and-Bake and the Center for Computational Research
  2. Highlights of CCR
  3. Status Report
  4. History of CCR
  5. Mission of CCR
  6. Computational Science
  7. Diverse User Community
  8. Major Projects
  9. Notes
  10. Management
  11. Layout: 9 Norton Hall
  12. High-Performance Computing
  13. X-Ray Crystallography
  14. Photograph of Crystal
  15. A Crystal Structure
  16. The Diffraction Pattern
  17. X-Ray Data & ^KMolecular Structure
  18. The Phase Problem
  19. Data Structures
  20. Shake-and-Bake
  21. Direct Methods
  22. Conventional Direct Methods
  23. Direct Methods of Structure Determination
  24. Useful Relationships for Multiple Trial Phasing
  25. Phasing and Structure Size
  26. Structure of SnB
  27. SnB Parameters
  28. ToxII: SnB Histogram
  29. Tox II: Trace of SnB Solution
  30. ToxII: Quality of Solution^K(courtesy of S. Ealick)
  31. Vancomycin
  32. Vancomycin Crystal^K(courtesy of P. Loll)
  33. Vancomycin Crystal Structure Views^K(courtesy of P.Loll & P. Axelsen)
  34. Some Successful Protein Applications^Kof Shake-and-Bake
  35. Se-Met Problems
  36. Some Successful SeMet Applications^Kof Shake-and-Bake
  37. SnB 2.0: Timings^K(SGI R10000 Workstation)
  38. Computing Platforms
  39. SnB v2.0: Why a New Version?
  40. SnB Structure Diagram
  41. PPT Slide
  42. PPT Slide
  43. PPT Slide
  44. PPT Slide
  45. SnB and Globus (ANL/USC)
  46. PPT Slide
  47. SnB Credits:^KR. Miller & C.M. Weeks
  48. Contact Information
Author: Russ Miller

Email: miller@cse.buffalo.edu

Home Page: http://www.cse.buffalo.edu/pub/WWW/faculty/miller/