I am trying to salvage old data, and one of my output files is in Molden format.
- I tried downloading Molden at its homesite but the link does not seem to work.
- Is there another way to access Molden format files?
Thank you very much.
$\begingroup$
$\endgroup$
5
-
$\begingroup$ This is probably off-topic - rather informatics than chemistry. $\endgroup$– MithoronNov 13, 2016 at 15:53
-
4$\begingroup$ Related: chemistry.stackexchange.com/q/33932/4945 I had no problems downloading molden from the linked homepage. try this: ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.7.tar.gz $\endgroup$– Martin - マーチン ♦Nov 13, 2016 at 16:26
-
3$\begingroup$ @Mithoron no one in informatics will have an answer to this besides computational chemists there. This is the best SE to get an answer to such a question. $\endgroup$– DSVANov 13, 2016 at 18:29
-
1$\begingroup$ @Mithoron In principle questions of this type are the reason for my newest meta discussion: What's our (maybe updated) take on questions about (quantum) chemical software?. $\endgroup$– Martin - マーチン ♦Nov 14, 2016 at 8:31
-
$\begingroup$ Maybe avogadro, or VMD (Visual Molecular Dynamics) $\endgroup$– khaverimJan 13, 2017 at 15:57
Add a comment
|
2 Answers
$\begingroup$
$\endgroup$
2
I am fairly sure Molden can be downloaded. However, programs like JMol, and Chemcraft are usually cross-compatiblr with molden.
-
1$\begingroup$ As far as I know, ChemCraft is not able to read molden files. I don't use JMol, so maybe that works. It would be best if you could support your claims with more data, and/ or links to documentation of the programs. $\endgroup$– Martin - マーチン ♦Nov 14, 2016 at 8:29
-
$\begingroup$ Even though ChemCraft does not open
.moldenfiles, it is able to open.wfnfiles. So if using ChemCraft (or any other.wfn-compatible software that can't read.moldenfiles) is imperative, my answer might be helpful. $\endgroup$ Jan 20, 2017 at 19:11
$\begingroup$
$\endgroup$
In case you're OK with converting, Molden2AIM may be a good alternative.
It is able to convert .molden files into .wfn files which are easier to handle in my opinion (the software actually does a bit more than just that, such as generating .47 files for NBO analysis).
If your .molden files were generated by ORCA, you may also try an automated script that handles the details of using Molden2AIM for you.
answered Jan 20, 2017 at 19:09