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

A VRML browser or plugin (available for most platforms)

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.