University of California, Riverside
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Molecular Modeling Workshop - Powered by SGI

The Center for Visual Computing will be conducting a workshop on Tuesday August 7th 2001 from 2:00 pm to 4:00 pm in the Computing and Communications Building Room 155. The topic is "Simulation and Analysis of Molecular Structures using Insight II." More information about the software can be found at Accelrys, the makers of Insight II. More information on the hardware can be found at SGI the makers of the hardware that powers the Insight II software.

Space is limited. If you would like to attend, you must RSVP by sending email to info@cvc.ucr.edu.

The following topics will be covered:

  1. Molecule Aquisition
    • Manual Input
    • Import PDB file
    • Other methods
  2. Molecule Display
    • Display On/Off
    • Slab Control
    • Render Types and Levels
    • Coloring
    • Ribbon Structure
  3. Molecule Manipulation
    • Comparing Two Molecules
    • Moving/Rotating Molecule
    • Adding/Subtracting Atoms/Residues/Molecules
  4. Pre-Calculation Preparation
    • Adding Hydrogens
    • Balancing Charges
    • Types of Calculations
    • Calculation Setup
  5. Minimization
    • Submitting a Job
    • Command File Options
    • Viewing Results
  6. Dynamics
    • Submitting a Job
    • Command File Options
    • Viewing Results
  7. Hardware
    • SGI Octane Workstation
    • SGI Origin 2000 Server


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