Proceedings chapter
English

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

Presented atproceedings of Computer Graphics International '93 (CGI '93), the Eleventh International Conference of the Computer Graphics Society, Lausanne, June 21-25, 1993
Published inMagnenat Thalmann, Nadia & Thalmann, Daniel (Ed.), Communicating with Virtual Worlds, p. 424-437
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.

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. Magnenat Thalmann, Nadia & Thalmann, Daniel (Ed.). Lausanne. Tokyo : Springer Japan, 1993. p. 424–437. doi: 10.1007/978-4-431-68456-5_34
Main files (1)
Proceedings chapter (Published version)
accessLevelRestricted
Identifiers
ISBN978-4-431-68458-9
97views
0downloads

Technical informations

Creation25/11/2022 12:23:00
First validation25/11/2022 12:23:00
Update time16/03/2023 10:04:57
Status update16/03/2023 10:04:56
Last indexation01/11/2024 04:32:44
All rights reserved by Archive ouverte UNIGE and the University of GenevaunigeBlack