Dear all,
I am trying to do a script for jmol that export the povray files using
variable output names defined by some properties of a given molecular
orbital. For example, I would like to get an output file named with the
symmetry of the orbital. To do that, the latest lines of my jmol script is
like this:
x = getProperty("auxiliaryInfo.models[1].modata.mos")
sym = x[21]["symmetry"]
write POVRAY [email protected]
I checked that the command echo return the correct value for my variable
"sym" but the command write seems to does not recognize the variable such
that the output name is "[email protected]".
Please, does somebody know how to export a povray file using variables to
define the output file name? What is the right command for that? It would
be also very useful if I could export all information about symmetry and
occupation of a given orbital for a txt file.
I will appreciate any help. Thanks!
Dr. Max Pinheiro Jr
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