OrbVis - Introduction
Go to the OrbVis main page.
What is OrbVis ?
OrbVis is an online service for the calculation and visualization
of molecular orbitals. The service will visualize all MOs of any reasonable structure
There are two steps in this procedure. After calculating the orbital vectors the first
display shows the six energy levels in the vicinity of the HOMO and LUMO (Figure 1).
The second visualization display shows the selected MO(s). It employs a combination
of a VRML2.0 plugin and a JAVA1.1 applet with many display options to control
the visual appearance (Figure 2).
SGI: Netscape Communicator 4.04 with JDK1.1 patch; VRML 2.0 plugin
WIN 9x/NT: Netscape Communicator 4.5 or higher; VRML 2.0 plugin
For the input of chemical structures the service uses the JME Molecular Editor by
Peter Ertl (Novartis).
The orbital vectors are computed by the the semi-empiric program
VAMP (Tim Clark,
University of Erlangen) with the AM1 Hamiltonian.
This service was developed within the framework of the
You can use the images and scenes generated by this service free of charge for every purpose you
can imagine. If you put them on a Web site, the HTML document embedding the file
must contain a link to this page. A small footnote is sufficient. After some bad
experiences with other free data
we provided to the Internet community, you are explicitly forbidden to include these
scenes in any CD or other medium you charge for without prior
and an agreement in writing.
We will treat the structures confidentially, but they travel unencrypted on the
Internet, and we log them to evaluate program performance.
Last Change: 1999-04-01, F. Oellien