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.
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For more projects and services refer to this
site
