VRML

Author

The VRML interface in Dalton was programmed by Vebjørn Bakken

Description

Visualizing geometries and normal modes (as static vectors) using the VRML specification. Dalton outputs wrl-files, and these 3D models of the molecule can be viewed, rotated and zoomed using any VRML browser or plugin.

Requirements

Usage

The VRML visualization is controlled through certain keywords in the *OPTIMIZE module of Dalton, please see the manual for further details.

If you're using the dalton script to run calculations, use the "-v" option to copy all VRML files (*.wrl) from the temporary directory to working directory after the calculation is finished.

Examples

VRML models of a couple of molecules (you'll need a VRML browser/plugin to view the wrl-files):

NH2CONH2 C6H6 CH3COOH

Download

No downloads, the VRML module is part of the regular Dalton distribution.