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• W2102014334 abstract "The @b-shape and the @b-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 @b-shape is inconvenient for reasoning about the surface structure of a sphere set. In this paper, we present an algorithm to transform a @b-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 @b-shape, the algorithm augments the @b-complex which corresponds to the @b-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." @default.
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• W2102014334 date "2010-04-01" @default.
• W2102014334 modified "2023-09-26" @default.
• W2102014334 title "Manifoldization of -shapes in time" @default.
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• W2102014334 doi "https://doi.org/10.1016/j.cad.2009.12.005" @default.
• W2102014334 hasPublicationYear "2010" @default.
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