1. UltraScan Overview Software for the design and comprehensive analysis of sedimentation velocity and sedimentation equilibrium experiments, and for the management of AUC data. Distributions for: ● Sedimentation Coefficients ● Diffusion Coefficients ● Molecular Weight ● Frictional Ratios Determination of: ● Association Constants ● Partial Concentrations LIMS System ● MySQL Database ● Web Portal ● UltraScan Interface Utilities for many tasks

2. UltraScan Laboratory Information Management System (LIMS) Provide convenient data exchange Assist with AUC multi-user facility management Provide central data storage for experimental data and descriptions, peptide sequences, buffer conditions, investigator information, experimental conditions and status (tracking), spectra, gel images. Provide web interface for investigators and analysis reports Provide UltraScan interface for analysts Provide web portal for supercomputer analysis

3. Linux Supercomputer Portal UltraScan LIMS DB Webserver Local Supercomputer TIGRE HPC Grid User E-mail

4. BCF Server CAUMA DB User 1 DB User 2 DB Apache/PHP/PERL webserver, e-mail etc... CGI backend Parallel Application Broker/Server Remote User 1 Remote User 2 CAUMA etc... UTHSCSA TIGRE Environment TACC PC Remote User 1 etc... PC Remote User 2 PC AUC High Performance Computing Environment CAUMA Other TIGRE MySQL DB

5. AUC PC for Data Acquisition UltraScan LIMS Server MySQL Database UltraScan LIMS Portal (Apache Web Server) PC for Data Editing and Analysis Experimental Data, Buffers, Peptide sequences, Designs Experimental Data, Buffers, Peptide sequences Edited and Analyzed Dat a User/ Collaborator Results HPC System Genetic Algorithm 2D Spectrum Anal. Monte Carlo Anal. Project Description, Peptide sequences, Buffers, Gel Images, Absorption scans, Experimental requests UltraScan LIMS Flowchart 1 2 3 4 5 6 7

6. Current HIPCAT/TIGRE Network Implementation: Minigar @ TTU 230 GFLOPs 32 Xeon CPUs 64 GB RAM Lonestar @ TACC 8.3 TFLOPs 1300 Intel Xeon CPUs 2 TB RAM RTC @ Rice 1.044 TFLOPs 290 Intel Itanium CPUs 596 GB RAM Eldorado @ UH 472 GFLOPs 122 Itanium CPUs 256 GB RAM Cosmos @ TAMU 666 GFLOPs 128 Intel Itanium CPUs 256 GB RAM BCF @ UTHSCSA 530 GFLOPs 44 Opteron CPUs 88 GB RAM

7. UltraScan/TIGRE Grid Portal

8. UltraScan LIMS LIMS setup and UltraScan Configuration