Shake-and-Bake & The Center for Computational Research

5/2/99


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Table of Contents

  1. Shake-and-Bake & The Center for Computational Research
  2. Mission of CCR
  3. History of CCR
  4. Major Initial Focus of CCR: Computational Science
  5. Diverse User Community
  6. Major Projects
  7. High-Performance Computing
  8. Overview
  9. Status Report: Equipment
  10. Layout: 9 Norton Hall
  11. Status Report: Personnel
  12. Management
  13. Status Report: EOT - pt. 1
  14. Status Report: EOT - pt. 2
  15. PITAC Report
  16. X-Ray Crystallography
  17. A Crystal Structure
  18. X-Ray Data & Molecular Structure
  19. The Phase Problem
  20. Data Structures
  21. Shake-and-Bake
  22. Direct Methods
  23. Conventional Direct Methods
  24. Shake-and-Bake Method: Dual-Space Refinement
  25. Useful Relationships for Multiple Trial Phasing
  26. Phasing and Structure Size
  27. Structure of SnB
  28. SnB Parameters (Atomic Res.)
  29. ToxII: SnB Histogram
  30. Tox II: Trace of SnB Solution
  31. ToxII: Quality of Solution
  32. Vancomycin
  33. Vancomycin Crystal
  34. Vancomycin Crystal Structure Views
  35. Some Successful Protein Applications of Shake-and-Bake
  36. Se-Met Problems
  37. Some Successful SeMet Applications of Shake-and-Bake
  38. SnB 2.0: Timings
  39. Computing Platforms
  40. SnB v2.0: Why a New Version?
  41. SnB Structure Diagram
  42. General Information Screen
  43. Online Help Screen
  44. Dynamic Histogram Display
  45. SnB Web Site
  46. SnB and Globus - I
  47. SnB and Globus - II
  48. SnB Credits: R. Miller & C.M. Weeks
  49. Contact Information
Author: Russ Miller

Email: miller@cse.buffalo.edu

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