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14th IEEE Visualization 2003 (VIS 2003)
Interactive Protein Manipulation
Seattle, Washington
October 22-October 24
ISBN: 0-7695-2030-8
Oliver Kreylos, University of California, Davis
Nelson L. Max, University of California, Davis; Lawrence Berkeley National Laboratory
Bernd Hamann, University of California, Davis; Lawrence Berkeley National Laboratory
Silvia N. Crivell, Lawrence Berkeley National Laboratory
E. Wes Bethel, Lawrence Berkeley National Laboratory
We describe an interactive visualization and modeling program for the creation of protein structures "from scratch." The input to our program is an amino acid sequence - decoded from a gene - and a sequence of predicted secondary structure types for each amino acid - provided by external structure prediction programs. Our program can be used in the set-up phase of a protein structure prediction process; the structures created with it serve as input for a subsequent global internal energy minimization, or another method of protein structure prediction. Our program supports basic visualization methods for protein structures, interactive manipulation based on inverse kinematics, and visualization guides to aid a user in creating "good" initial structures.
Index Terms:
Protein Structure Prediction, Protein Manipulation, Inverse Kinematics, Molecular Modeling, Molecular Visualization, Interactive Visualization, Computational Science
Citation:
Oliver Kreylos, Nelson L. Max, Bernd Hamann, Silvia N. Crivell, E. Wes Bethel, "Interactive Protein Manipulation," ieee_vis, pp.77, 14th IEEE Visualization 2003 (VIS 2003), 2003
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