Molden

Molden is a general molecular and electronic structure processing program. It can be used to analyze various results obtained from electronic structure calculations.

Available

• Puhti: 6.7
• Mahti: 6.7

License

• The use of the software is restricted to non-commercial research. Detailed license description.
• In order to keep up support for Molden, please also register as a Molden user.

Usage

Initialize with:

module load molden/6.7

Note, that you need remote graphics to work with Molden. You can either enable X11 forwarding or use the Puhti web interface desktop (recommended).

References

The correct reference for Molden is:

• G. Schaftenaar, E. Vlieg and G. Vriend, "Molden 2.0: quantum chemistry meets proteins", J Comput. Aided Mol. Des., 31 (2017) 789-800.
• G. Schaftenaar and J. H. Noordik, "Molden: a pre- and post-processing program for molecular and electronic structures", J. Comput. Aided Mol. Des., 14 (2000) 123-134.

More information

• Molden home page

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Last update: May 9, 2023

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