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 o...@sym.pov
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 "o...@sym.pov".
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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