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
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