Protein molecular surface triangulation based on Contour-Buildup algorithm

In this paper, we combine the Extraction Surface Atoms algorithm with the Contour-Buildup algorithm to generate a triangular mesh model for a protein's solvent-excluded surface. Only calculating and triangulating surface atoms can not only improve computational efficiency significantly, but als...

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Bibliographic Details
Published inThe 2014 2nd International Conference on Systems and Informatics (ICSAI 2014) pp. 886 - 890
Main Authors Jingqiao Zhang, Lin Wang
Format Conference Proceeding
LanguageEnglish
Published IEEE 01.11.2014
Subjects
Algorithm design and analysis
Atomic measurements
Computers
Contour-Buildup
Probes
Proteins
Solvent-Excluded surface
Surface treatment
Synthetic aperture sonar
Triangulation
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DOI10.1109/ICSAI.2014.7009410

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Summary:In this paper, we combine the Extraction Surface Atoms algorithm with the Contour-Buildup algorithm to generate a triangular mesh model for a protein's solvent-excluded surface. Only calculating and triangulating surface atoms can not only improve computational efficiency significantly, but also achieve better real-time property. Moreover, we improve the triangular method of convex spherical patches by using intermediate results of Contour-Buildup algorithm. Consequently, saddle patches and convex spherical patches can be connected seamlessly. As a result, we can obtain a uniform and seamless triangular mesh for a protein molecule.
DOI:10.1109/ICSAI.2014.7009410