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Proceedings chapter
English

Combined Visualization of Contour Levels and 3D Volumes in Molecular Graphics

Published inCommunicating with Virtual Worlds, Editors Magnenat Thalmann, Nadia & Thalmann, Daniel, p. 424-437
Presented at proceedings of Computer Graphics International '93 (CGI '93), the Eleventh International Conference of the Computer Graphics Society, Lausanne, June 21-25, 1993
PublisherTokyo : Springer Japan
Publication date1993
Abstract

A new formalism has been developed to combine the representation of contour levels in arbitrary planes with the visualization of chemical properties as color-coded molecular envelopes or as isovalue rendered surfaces. This tool, which is characterized by a totally interactive and user-friendly input, has been integrated within our basic molecular graphics package MOLEKEL, which is used for molecular modeling applications on- graphics workstations. After an overview of the design and practical implementation of this development, several applications are presented which underline its flexibility and utility in modeling the structure and reactivity of various chemical systems, ranging from pyrrole to Cr(benzene)(CO)3 and C60 fullerene derivatives.

eng
Keywords
  • Scientific visualization
  • Molecular modeling
  • Chemical properties
Citation (ISO format)
DELOFF, André, FLUEKIGER, Peter Frank, WEBER, Jacques. Combined Visualization of Contour Levels and 3D Volumes in Molecular Graphics. In: Communicating with Virtual Worlds. Lausanne. Tokyo : Springer Japan, 1993. p. 424–437. doi: 10.1007/978-4-431-68456-5_34
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Proceedings chapter (Published version)
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ISBN978-4-431-68458-9
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