Shake-and-Bake, Computer Science and Engineering Research, and CCR
7/26/00
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Table of Contents
Shake-and-Bake, Algorithms, and CCR
Outline of Talk
X-Ray Crystallography
A Crystal Structure
The Phase Problem
Data Structures
Why Direct Phasing Methods?
Structure Invariants
Direct Methods
X-Ray Data & Molecular Structure
Conventional Direct Methods
Conventional Direct Methods
Shake-and-Bake
Phase Refinement
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
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Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Visual Presentation of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Sample Run of Shake-and-Bake
Structure of SnB
Phasing and Structure Size
SnB Parameters
Ph8755: SnB Histogram
PH8755: Trace of SnB Solution
ToxII: SnB Histogram
Tox II: Trace of SnB Solution
Vancomycin
Vancomycin Crystal (courtesy of P. Loll)
Vancomycin Crystal Structure Views (courtesy of P.Loll & P. Axelsen)
Algorithms
Center for Computational Research (9 Norton Hall)
Research Opportunities
Credits
Contact Information
Blue Slide
Author:
Russ Miller
Email:
miller@ccr.buffalo.edu
Home Page:
http://www.ccr.buffalo.edu/