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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: 5.9
• 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). If you intend to run Molden on Mahti you can use NoMachine as a fallback option.

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

Last edited Tue May 3 2022