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Molden

General
The Molden 4.6 program is available to users at NSC. Molden is a molecular builder and visualization program.

Manual
A manual is available. [here]

Essentials
Molden needs no input. Upon start the Molden interface consists of two windows: (i) the Control Panel and (ii) the View Window.

Visualize Dalton output files
Extract the molden interface file from the gzipped archive of Dalton output files:

tar xvfz xxx_yyyy.tar.gz molden.inp
In the Control Panel, click on the "Read" button and locate the "molden.inp" file. Alternatively, upon program start, place yourself in the appropriate directory and give the "molden.inp" filename as argument to Molden.

Visualize Gaussian output files
In the Control Panel, click on the "Read" button and locate the Gaussian output file. Alternatively, upon program start, place yourself in the appropriate directory and give the filename of the Gaussian output file as argument to Molden.

Molden on Neolith
Load the module with the command

module add molden
Then start the program with the command
gmolden





Page last modified: 2012-01-13 13:50
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