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CCCG
1998

Dynamic maintenance and visualization of molecular surfaces

13 years 10 months ago
Dynamic maintenance and visualization of molecular surfaces
Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary representation for the molecular surface (e.g. the Lee-Richards surface). In this paper we introduce e cient techniques for computing a molecular surface boundary representation as a set of NURBS (non-uniform rational B-splines) patches. This representation introduces for molecules the same geometric data structure used in the solid modeling community and enables immediate access to a wide range of modeling operations and techniques. Furthermore, this allows the use of any general solid modeling or visualization system as a molecular modeling interface. However, using such a representation in a molecular modeling environment raises several e ciency and update constraints, especially in a dynamic setting. For example, changes in the probe radius result in both geometric and topological changes to the set of patc...
Chandrajit L. Bajaj, Valerio Pascucci, Robert J. H
Added 01 Nov 2010
Updated 01 Nov 2010
Type Conference
Year 1998
Where CCCG
Authors Chandrajit L. Bajaj, Valerio Pascucci, Robert J. Holt, Arun N. Netravali
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