Shake-and-Bake w.r.t. ANL/DOE
12/17/97
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Table of Contents
Shake-and-Bake w.r.t. ANL/DOE
Outline of Talk
X-Ray Data & Molecular Structure
The Phase Problem
Direct Methods
Structure Invariants
Direct Methods
Conventional Direct Methods
Shake-and-Bake
Conventional Direct Methods
Phase Refinement
Shake-and-Bake
Phasing and Structure Size
Structure of SnB
SnB Parameters
ToxII: SnB Histogram
Tox II: Trace of SnB Solution
ToxII: Quality of Solution(courtesy of S. Ealick)
Some Successful Protein Applications
Factors Determining Success Rate
Computing Platforms
SnB 2.0: Rationale
PPT Slide
SnB v2.0 Interface
VRML Visualization
SnB 2.0: Timings(SGI R10000 Workstation)
Current Research
Personnel
Summary
Conclusion
PPT Slide
Author:
Russ Miller
Email:
miller@cs.buffalo.edu
Home Page:
http://www.cs.buffalo.edu/pub/WWW/faculty/miller/