Daniel, Could it be the MO settings in your second file? The MO’s may be there, just hard to see. You may need to adjust the Jmol’s MO parameters in your second model that isn’t showing MO’s.
MO documentation is here: http://chemapps.stolaf.edu/jmol/docs/index.htm?command=mo&ver=14.3.16_2015.08.21 Specifically, try the CUTOFF parameter: mo CUTOFF (decimal) Sets the cutoff value for the isosurface that defines the orbital. This number may be dependent upon the computational package used to generate the orbitals. Values in the range 0.005 - 0.05 may need to be experimented with in order to get the best display. Values closer to zero lead to surfaces further from the atoms (larger orbitals). Both positive and negative cutoffs are allowed. A positive number indicates to use both positive and negative cutoffs. Adding an explicit "+" sign before the number indicates that only the positive part of the surface is desired. Matt On Sep 8, 2015, at 5:47 AM, Friese Daniel Henrik <daniel.h.fri...@uit.no<mailto:daniel.h.fri...@uit.no>> wrote: Dear jmol users and developers, Yesterday I was really happy when I found out that I can plot molecular orbitals in JMOL by just loading a molden input file which is generated automatically by the Dalton program. Today I tried this for another molecule and it turned out to be that it did not work. The major difference between the molecules is that the one I tried yesterday had no point group symmetry while the one I tried today has it. If I request plotting for e.g. orbital 80 by typing "mo 80" in the console nothing happens. There is neither an error message nor a result. Do I do anything wrong there or is it a bug? I am using version 13.2.7 Thanks to everybody who takes the time to answer. Best regards, Daniel ______________________________________________________________________ Dr. Daniel Friese Centre for Theoretical and Computational Chemistry Universitetet i Tromsø - Norges Arktiske Universitet Norway Best regards also to the secret reader from the National Security Agency ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net<mailto:Jmol-users@lists.sourceforge.net> https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
