TY - JOUR
T1 - Computing smooth molecular surfaces
JF - Computer Graphics and Applications, IEEE
Y1 - 1994
A1 - Varshney, Amitabh
A1 - Brooks, F.P.,Jr.
A1 - Wright,W. V
KW - 3D
KW - algorithm;smooth
KW - algorithms;physics
KW - analytical
KW - atoms;three
KW - complexity;computational
KW - complexity;parallel
KW - computing;
KW - computing;surface
KW - dimensional
KW - geometry;interactive
KW - geometry;parallel
KW - improvements;computation
KW - molecular
KW - rates;linear
KW - regular
KW - surface
KW - time;computational
KW - triangulation;algorithmic
KW - triangulation;computational
AB - 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 geometry, making further algorithmic improvements and parallelizing the computations.<>
VL - 14
SN - 0272-1716
CP - 5
M3 - 10.1109/38.310720
ER -