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Universität Stuttgart

	Institut für Visualisierung und Interaktive Systeme

Dieses Dokument ist leider nur in Englisch verfügbar.

Visualization of Chemical Data in Digital Libraries

The ChemVis project is one of 23 research projects in the strategic research initiative "V3D2" ("Distributed Processing and Exchange of Digital Documents") of the German Research Foundation (Deutsche Forschungsgemeinschaft DFG).
Project Leaders:

                                Dr. Wolf-Dietrich Ihlenfeldt
                                Computer-Chemie-Centrum
                                Institute of Organic Chemistry
                                University of Erlangen-Nürnberg

                                Prof. Dr. Thomas Ertl
                                Visualization and Interactive Systems Group
                                Institute of Computer Science
                                University of Stuttgart

Research Project:

Chemical Visualization on the Internet: Embedded dynamic and interactive high-end graphics in digital documents for the visualization of complex factual relationships.

Summary:

We propose the development of an Internet standard orientated system for the embedding of dynamic visualizations in digital documents in the field of chemistry. We aim to show with prototypical examples that such a system facilitates the understanding of complex chemical phenomena easier than static 3D scenes or videos. For example, important chemical effects depend on 3D geometry, time scale and field effects and therefore is difficult to depict by a few static viewpoints. The coupling and realtime manipulation of 3D visualizations, by user-initiated change of graph attributes, space/time parameters and other influencing factors, enable a new quality and density of information. Such kind of information visualization is able to keep pace with the complexity of current research. Several models of scene manipulation shall highlight a wide range of uses and requirements of these dynamic scenarios.

Projects and Services:

OrbVis is an online service for the calculation and 3D visualization of molecular orbitals. The service will visualize all MOs of any reseonable structure you create.

ComSpec3D:
Calculation and visualization of IR and Raman Spectra and 3D visualization of corresponding normal modes

VRML File Creator for Chemical Structures:
The VRML File Creator for Chemical Structures is an online service for the generation of VRML scenes from your 2D or 3D data files. It supports over 40 structure file formats and contains also a Molecule editor for structure input. It automatic generates 3D coordinates if not contained in the input structure. The service allows the measurement of atom distances, bond angles and torsional angles. It has many display options to control the visual appearance.
For more projects and services refer to this site