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
- 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/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