SUNY-Buffalo's Center for Computational Research
4/10/00
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Table of Contents
SUNY-Buffalo's Center for Computational Research
History of CCR
PITAC Report
Mission of CCR
CCR Hightlights I
CCR Highlights II
High-Performance Computing
Status Report: Supercomputers
BSC: Hardware
BSC: Linux-Based Software
Bandwidth & Latency
BSC: Application Software
Final Remarks on BSC
Status Report: Visualization+
Status Report: Personnel
Management
Computational Science
Major Projects
Diverse User Community
Peace Bridge (CCR / IBC Digital / UB VR Lab)
Existing Situation
Companion Span
Twin Arches
Concrete Arches
Cable-Stayed
Porter Ave: Existing Bridge
Porter Ave: Twin Arches
Porter Ave: Concrete Arches
Porter Ave: Cable-Stayed
Air: Existing Bridge
Air: Twin Span
Air: Concrete Arches
Air: Cable-Stayed
X-Ray Crystallography
The Phase Problem
Shake-and-Bake
Conventional Direct Methods
Shake-and-Bake Method: Dual-Space Refinement
Useful Relationships for Multiple Trial Phasing
Initial Configuration
Final Configuration
Random Start
Final Structure
Phasing and Structure Size
ToxII: SnB Histogram
Tox II: Trace of SnB Solution
Vancomycin
Successful Protein Applications
Se-Met Problems
SnB SeMet Solutions
SnB and Globus (ANL/USC)
Status Report: EOT
Buffalo Museum of Science
External Relationships
Layout: 9 Norton Hall
BSC Collaborators
Credits: Summer Workshop
SnB Credits (R. Miller & C. Weeks)
CCR Funding
SnB Funding
Contact Information
Author:
Russ Miller
Email:
miller@ccr.buffalo.edu
Home Page:
http://www.ccr.buffalo.edu/