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Volume 23 Issue 6
November  2008
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Chandrajit L. Bajaj, Guo-Liang Xu, Qin Zhang. Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction[J]. Journal of Computer Science and Technology, 2008, 23(6): 1026-1036.
Citation: Chandrajit L. Bajaj, Guo-Liang Xu, Qin Zhang. Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction[J]. Journal of Computer Science and Technology, 2008, 23(6): 1026-1036.
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Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction

  • 1CVC, Department of Computer Science, Institute for Computational Engineering and Sciences, University of Texas at Austin, TX 78712, U.S.A. 2LSEC, Institute of Computational Mathematics, Academy of Mathematics and System Sciences, Chinese Academy of Sciences, Beijing 100190, China3School of Sciences, Beijing Information Science and Technology University, Beijing 100192, China

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  • Received Date: June 27, 2007
  • Revised Date: August 27, 2008
  • Published Date: November 09, 2008
    Abstract
  • We present a general framework for a higher-order spline level-set (HLS)method and apply this to biomolecule surfaces construction. Startingfrom a first order energy functional, we obtain a general level setformulation of geometric partial differential equation, and provide anefficient approach to solving this partial differential equation using aC2 spline basis. We also present a fast cubic spline interpolationalgorithm based on convolution and the Z-transform, which exploits thelocal relationship of interpolatory cubic spline coefficients withrespect to given function data values. One example of our HLS method isdemonstrated, which is the construction of biomolecule surfaces (animplicit solvation interface) with their individual atomic coordinatesand solvated radii as prerequisites.
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    • References (28)
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