Computing smooth molecular surfaces

  title={Computing smooth molecular surfaces},
  author={Amitabh Varshney and Frederick P. Brooks and William V. Wright},
  journal={IEEE Computer Graphics and Applications},
We consider how we set out to formulate a parallel analytical molecular surface algorithm that has expected linear complexity with respect to the total number of atoms in a molecule. To achieve this goal, we avoided computing the complete 3D regular triangulation over the entire set of atoms, a process that takes time O(n log n), where n is the number of atoms in the molecule. We aim to compute and display these surfaces at interactive rates, by taking advantage of advances in computational… CONTINUE READING

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Bounding the Number of Unit Spheres Inside a Larger Sphere,

  • A. Varshney, W. V. Wright, F. P. Brooks, Jr.
  • Tech. Report UNC-CS-TR-93-039,
  • 1993

MSEED: A Program for the Rapid Analytical Determination of Accessible Surface Areas and Their Derivatives,

  • G. Perrot
  • J. Computational Chemistry,
  • 1992

Weighted Alpha Shapes,

  • H. Edelsbrunner
  • Tech. Report UIUCDCS-R-92.1760, Dept. of Computer…
  • 1992

A New Force Field for Molecular Mechanical Simulation of Nucleic Acids and Proteins,

  • S. J. Weiner
  • J . Am. Chemical SOC.,
  • 1984

Analytical Molecular Surface Calculation,”J

  • M. L. Connolly
  • A p plied Crystallography, Vol. 16,
  • 1983

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