• DocumentCode
    2673032
  • Title

    Fast analytical computation of Richard´s smooth molecular surface

  • Author

    Varshney, Amitabh ; Brooks, Frederick P., Jr.

  • Author_Institution
    Dept. of Comput. Sci., North Carolina Univ., Chapel Hill, NC, USA
  • fYear
    1993
  • fDate
    25-29 Oct 1993
  • Firstpage
    300
  • Lastpage
    307
  • Abstract
    An algorithm for rapid computation of Richards´s smooth molecular surface is described. The entire surface is computed analytically, triangulated, and displayed at interactive rates. The faster speeds for our program have been achieved by algorithmic improvements, paralleling the computations, and by taking advantage of the special geometrical properties of such surfaces. Our algorithm is easily parallelable and it has a time complexity of O (k log k) over n processors, where n is the number of atoms of the molecule and k is the average number of neighbors per atom
  • Keywords
    computational complexity; computational geometry; interactive systems; molecules; parallel algorithms; physics; physics computing; Richard´s smooth molecular surface; algorithm; algorithmic improvements; atoms; display; fast analytical computation; geometrical properties; interactive rates; neighbors; parallelisation; processors; program; time complexity; triangulation; Atomic measurements; Computational geometry; Computer displays; Computer science; Concurrent computing; Potential energy; Probes; Proteins; Solvents; Visualization;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Visualization, 1993. Visualization '93, Proceedings., IEEE Conference on
  • Conference_Location
    San Jose, CA
  • Print_ISBN
    0-8186-3940-7
  • Type

    conf

  • DOI
    10.1109/VISUAL.1993.398882
  • Filename
    398882