Mark,
One other thing. You wrote that "when you load the model it prints all the
vibrational energies out”.
But here’s the thing…I think that, technically, the “names” of the models
containing vibrations are printed, i.e., what you would get from
x = getproperty("modelinfo.models.name”)
Dear Bob and Matt,
Thanks for the advice. I couldn't get
jmolApplet0._applet.viewer.getAuxiliaryInfo(6).get("moData") to work (I also
tried .ms and .ms.am and various frames with MO Data) -- I got errors about
a.get() not being a function and other things.
Matt's suggestion works well. I
Dear Mark and Bob,
Perhaps getting a large quantity of “auxiliarydata” is slowing things down?
Maybe, Mark, you could drill down a bit to get the specific auxiliary data that
you want. So, for example, maybe instead of
var x = Jmol.getPropertyAsArray(jmolApplet0,"auxiliaryInfo");
You could
If you are interested in just getting one model's auxiliary info, you can
use _M
$ load c:/temp/t.gamess
7 models
46 molecular orbitals in model 1.2
17 molecular orbitals in model 1.7
$ frame 1.7
$ print _M.keys
Energy
EnergyString
dipole
fileName
fileType
initialAtomCount
initialBondCount
Actually, I have neither. My old iPad (kindly donated by Art Cox) finally
bit the dust, and my ancient iPhone got replaced with a Windows phone. So I
have no interest in an iPhone and, for development, I'd much prefer an
iPad.
Otis has offered to loan me an iPad. Thank you, Otis!
Bob
On Sat,
All Bob needs is an iPhone to test this (although an iPad would be better). He
certainly used to have one but may have “upgraded”...
All the best
Nick
--
3D Organic Animations http://www.chemtube3d.com
Tel: +44 (0)151-794-3506 (3526 Student Support Office)
On 22 Oct 2016, at
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