Title
Manifoldization of beta-shapes in O(n) time
Abstract
The β-shape and the β-complex are recently announced geometric constructs which facilitate efficient reasoning about the proximity among spherical particles in three-dimensional space. They have proven to be very useful for the structural analysis of bio-molecules such as proteins. Being non-manifold, however, the topology traversal on the boundary of the β-shape is inconvenient for reasoning about the surface structure of a sphere set. In this paper, we present an algorithm to transform a β-shape from being non-manifold to manifold without altering any of the geometric characteristics of the model. After locating the simplexes where the non-manifoldness is defined on the β-shape, the algorithm augments the β-complex which corresponds to the β-shape so that all the non-manifoldness is resolved on such simplexes. The algorithm runs in O(n) time, without any floating-point operation, in the worst case for protein models where n is the number of spherical atoms. We also provide some experimental results obtained from real protein models available from the Protein Data Bank.
Year
DOI
Venue
2010
10.1016/j.cad.2009.12.005
Computer-Aided Design
Keywords
DocType
Volume
β-shape,β-complex,Voronoi diagram of spheres,Quasi-triangulation,Topology,Mesh,Non-manifold,Protein structure
Journal
42
Issue
ISSN
Citations 
4
0010-4485
0
PageRank 
References 
Authors
0.34
0
4
Name
Order
Citations
PageRank
Deok-Soo Kim163359.12
Changhee Lee2196.81
Youngsong Cho325022.15
Donguk Kim429626.68