MolSurf - Introduction

What is MolSurf ?

MolSurf is an online service for the generation of VRML scenes of molecular surfaces and molecular properties like the electrostatic potential. The service supports the VAMP structure file format and contains also a molecule editor for structure input. It automatically generates 3D coordinates and surface information if no VAMP file is available. In the moment we only support the Vamp file format (vmp) for reading surface information from the file. Other file formats will follow in the future.

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.
The 3D coordinates are computed by the program CORINA (Molecular Networks GmbH)

This service was developed within the framework of the ChemVis research project. ChemVis

Usage conditions

You can use the 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 VRML 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: 2001-01-30, F. Oellien