The Center for Computational Research at SUNY-Buffalo
8/15/99
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Table of Contents
The Center for Computational Research at SUNY-Buffalo
Mission of CCR
History of CCR
Major Initial Focus of CCR: Computational Science
Highlights
Status Report: Equipment
Status Report: Personnel
Major Projects
Diverse User Community
Layout: 9 Norton Hall
Management
Status Report: EOT+
PITAC Report
X-Ray Crystallography
The Phase Problem
Shake-and-Bake
Direct Methods
Conventional Direct Methods
Shake-and-Bake Method: Dual-Space Refinement
Useful Relationships for Multiple Trial Phasing
Phasing and Structure Size
Structure of SnB
SnB Parameters
ToxII: SnB Histogram
Tox II: Trace of SnB Solution
Vancomycin
Some Successful Protein Applications of Shake-and-Bake
Se-Met Problems
Some Successful SeMet Applications of Shake-and-Bake
SnB 2.0: Timings (SGI R10000 Workstation)
SnB Structure Diagram
SnB v2.0 Interface
SnB v2.0 Histogram
SnB and Globus (ANL/USC)
SnB Credits: R. Miller & C.M. Weeks
Contact Information
Author:
Russ Miller
Email:
miller@cse.buffalo.edu
Home Page:
http://www.cse.buffalo.edu/pub/WWW/faculty/miller/