TRIANGULATION ALGORITHMS FOR THE REPRESENTATION OF MOLECULAR-SURFACE PROPERTIES

被引：34

作者：

HEIDEN, W

SCHLENKRICH, M

BRICKMANN, J

机构：

[1] Institut für Physikalische Chemie, Technische Hochschule Darmstadt, Darmstadt, D-6100

来源：

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN | 1990年 / 4卷 / 03期

关键词：

Interactive computer graphics; Molecular modelling; Molecular surface; Triangle mesh;

D O I：

10.1007/BF00125014

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A triangulation algorithm for a dotted surface (i.e. a surface defined by point coordinates in three dimensions) is given. The individual triangles are generated on the basis of a hierarchy of strategies according to increasing surface complexity. While for small molecules an elementary algorithm is sufficient to triangulate the surface, large molecules-like proteins-generally need all steps of the hierarchy. Although this program has been developed with the aim of triangulating molecular surfaces, it can in principle be applied to any surface defined by 3D point coordinates. © 1990 ESCOM Science Publishers B.V.

引用

页码：255 / 269

页数：15

共 13 条

[1]

Max N., J. Mol. Graph., 2, (1984)

[2]

Langridge R., Ferrin T.E., Kuntz I., Connolly M.L., Science, 211, (1981)

[3]

Quarendon P., Et al., J. Mol. Graph., 2, (1984)

[4]

Getzoff E.D., Tainer J.A., Weiner P.K., Kollman P.A., Richardson J.S., Richardson D.C., Nature, 306, (1983)

[5]

Weiner P.K., Langridge R., Blaney J.M., Schaefer R., Kollman P.A., Proc. Natl. Acad. Sci. U.S.A., 79, (1982)

[6]

Connolly M.L., Analytical molecular surface calculation, Journal of Applied Crystallography, 16, (1983)

[7]

Gouraud H., IEEE Trans. Comput., C, 20, 6, (1971)

[8]

Connolly M.L., Molecular surface Triangulation, Journal of Applied Crystallography, 18, (1985)

[9]

Richards F.M., Annu. Rev. Biophys. Bioeng., 6, (1977)

[10]

Zauhar R.J., Morgan R.S., The rigorous computation of the molecular electric potential, Journal of Computational Chemistry, 9, 2, (1988)

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