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Valence optimization and angle improvement for molecular surface remeshing

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dc.contributor.author Khan, Dawar
dc.contributor.author Plopski, Alexander
dc.contributor.author Fujimoto, Yuichiro
dc.contributor.author Kanbara, Masayuki
dc.contributor.author Cheng, Zhanglin
dc.contributor.author Kato, Hirokazu
dc.date.accessioned 2020-09-11T09:11:57Z
dc.date.available 2020-09-11T09:11:57Z
dc.date.issued 2020-09-02
dc.identifier.uri http://hdl.handle.net/10061/14050
dc.description.abstract Molecular surface mesh generation plays a vital role in molecular modeling and visualization. However, meshes extracted directly from Protein Data Bank files have several issues such as small and large triangles, redundant elements, self-intersections, and irregular vertices. The state-of-the-art mesh improvement methods often fail to deal with these issues. In this paper, we present a novel method for valence optimization and angle improvement. For valence optimization, we remove the bad valence vertices with its neighbor triangle making regular holes in the mesh. The holes are filled in a careful manner to improve their valences as well as angle quality. We also use a segmentation-based surface remeshing which segments the mesh into random segments and then each segment is independently remeshed. In addition, a point insertion scheme is applied to minimize the ratio of obtuse triangles. Experimental results show that our method not only improves the maximal and minimal angles to an angle bound of [30∘120∘] but also improves the vertices’ regularity, reduces the ratio of obtuse triangles, preserves the area and volume, and always succeeds with downstream applications. ja_JP
dc.language.iso en ja_JP
dc.publisher Springer Nature ja_JP
dc.rights Copyright © 2020, Springer Nature ja_JP
dc.subject Molecular surface remeshing ja_JP
dc.subject Mesh quality ja_JP
dc.subject Valence optimization ja_JP
dc.subject Molecular modeling ja_JP
dc.title Valence optimization and angle improvement for molecular surface remeshing ja_JP
dc.type.nii Journal Article ja_JP
dc.contributor.transcription フジモト, ユウイチロウ
dc.contributor.transcription カンバラ, マサユキ
dc.contributor.transcription カトウ, ヒロカズ 
dc.contributor.alternative 藤本, 雄一郎
dc.contributor.alternative 神原, 誠之
dc.contributor.alternative 加藤, 博一
dc.textversion author ja_JP
dc.identifier.eissn 1432-2315
dc.identifier.jtitle The Visual Computer ja_JP
dc.relation.doi 10.1007/s00371-020-01967-6 ja_JP
dc.identifier.NAIST-ID 74655200 ja_JP
dc.identifier.NAIST-ID 74652520 ja_JP
dc.identifier.NAIST-ID 82044561 ja_JP
dc.identifier.NAIST-ID 73292542 ja_JP
dc.identifier.NAIST-ID 73292815 ja_JP


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