OrbVis - Introduction

link link 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 you create.
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).

Step 1

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).

Step 2

Figure 2

System Requirements

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


Novartis 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 ChemVis research project. ChemVis

Usage conditions

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 contact 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