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
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;
Conference_Titel :
Visualization, 1993. Visualization '93, Proceedings., IEEE Conference on
Conference_Location :
San Jose, CA
Print_ISBN :
0-8186-3940-7
DOI :
10.1109/VISUAL.1993.398882