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

License

Usage

Initialize with:

module load molden/5.9 

Note, that you need remote graphics to work with Molden. You can either enable X11 forwarding, or preferably use it through NoMachine.

References

The correct reference for molden is:

Gijs Schaftenaar, Elias Vlieg and Gerrit Vriend,"Molden 2.0: quantum chemistry
meets proteins",
J Comput Aided Mol Des (2017) 31: 789


G.Schaftenaar and J.H. Noordik, "Molden: a pre- and post-processing program 
for molecular and electronic structures", J. Comput.-Aided Mol. Design,
14 (2000) 123-134 

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