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Triangulation algorithms for the representation of molecular surface properties

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Summary

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.

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References

  1. Max, N., J. Mol. Graph., 2 (1984) 8.

    Google Scholar 

  2. Langridge, R., Ferrin, T.E., Kuntz, I. and Connolly, M.L., Science, 211 (1981) 661.

    Google Scholar 

  3. Quarendon, P. et al., J. Mol. Graph., 2 (1984) 4.

    Google Scholar 

  4. Getzoff, E.D., Tainer, J.A., Weiner, P.K., Kollman, P.A., Richardson, J.S. and Richardson, D.C., Nature, 306 (1983) 287.

    Google Scholar 

  5. Weiner, P.K., Langridge, R., Blaney, J.M., Schaefer, R. and Kollman, P.A., Proc. Natl. Acad. Sci. U.S.A., 79 (1982) 3754.

    Google Scholar 

  6. Connolly, M.L., J. Appl. Cryst., 16 (1983) 548.

    Google Scholar 

  7. Gouraud, H., IEEE Trans. Comput., C-20(6) (1971) 623.

    Google Scholar 

  8. Connolly, M.L., J. Appl. Cryst., 18 (1985) 499.

    Google Scholar 

  9. Richards, F.M., Annu. Rev. Biophys. Bioeng., 6 (1977) 151.

    Google Scholar 

  10. Kahn, S.D., Iris Universe, Spring (1989) 24–30.

  11. Zauhar, R.J. and Morgan, R.S., J. Comput. Chem., 9(2) (1988) 171.

    Google Scholar 

  12. Connolly, M.L., Science, 221 (1983) 709.

    Google Scholar 

  13. Yue, Shi Yi, Modélisation Calligraphique de Formes Moléculaires Electroniques et Géométriques dans une Structure Grille, Thesis, 1987.

  14. Huron, M.J. and Claverie, P., J. Phys. Chem., 76 (1972) 2123.

    Google Scholar 

  15. Bode, W. and Schwager, P., J. Mol. Biol., 98 (1975) 693.

    Google Scholar 

Download references

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Authors and Affiliations

  1. Institut für Physikalische Chemie, Technische Hochschule Darmstadt, Petersenstrasse 20, D-6100, Darmstadt, F.R.G.

    Wolfgang Heiden, Michael Schlenkrich & Jürgen Brickmann

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  1. Wolfgang Heiden
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  2. Michael Schlenkrich
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  3. Jürgen Brickmann
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Heiden, W., Schlenkrich, M. & Brickmann, J. Triangulation algorithms for the representation of molecular surface properties. J Computer-Aided Mol Des 4, 255–269 (1990). https://doi.org/10.1007/BF00125014

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  • DOI: https://doi.org/10.1007/BF00125014

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