Skip to content

Note: There will be a service break on Puhti on Tue Aug 12 from 8:30 to 12:00. Click here for more info.

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

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

If you use Molden in your work, please cite the following references:

  • 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