Thanks, Bob
My recollection of my path to using "-s headless.spt <arg>" is that I found that construction somewhere on the web. I cannot relocate that now. In any case, my self-deception is found in JmolData's loading $CC as a model: java -jar "%JMOL_HOME%\JmolData.jar" -ion -s headless.spt $CC is equivalent to: java -jar "%JMOL_HOME%\JmolData.jar" -ion $CC -s headless.spt ... and where headless.spt is simply: xyzwrite = molunit[2][ml] + ".xyz" //xyzwrite = ".xyz" write @xyzwrite either one writes the XYZ format file ".xyz" for ethane. Best, George
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