By the way, George, if you are going to do this in a loop, it is VERY much
more efficient to define variables as much as you can and not call
getProperty every time:
x = getProperty("auxiliaryInfo.models[1].modata.mos")
print x[21]["energy"]
print x[22]["energy"]
etc. Note that Jmol math needs
models[] is an array that starts with 1:
$ print getproperty("auxiliaryInfo.models[1].keys")
name
modelNumberDotted
fileHeader
modelNumber
fileName
dipole
modelFileNumber
moData
modelName
initialAtomCount
energy
Energy
modelProperties
initialBondCount
EnergyString
fileType
$ print getproperty("au
Hello,
I'm using isosurface to display MOs and want to reproduce something like the
top left echoed info from the MO command. The Jmol docs note that
auxiliaryInfo.MO_ENERGY has the needed MO energy and I can see that it does by
running this:
print getProperty("auxiliaryInfo.models[1.1].M
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