From: Robert H. <ha...@st...> - 2015-06-19 00:40:59
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Jmol is not set up to load arguments into -s headless.spt While that is an interesting option, it's just not there. I think the thing to do is use -J instead of -s. This will run an in-line script, which can then call your headless.spt script with a parameter: java -jar "%JMOL_HOME%\JmolData.jar" -ion -J "headless.spt('$CC')" also, I note that when running headless you still need the *-Djava.awt.headless=true* option, although perhaps on your machine you have set all Java to be headless. java -Djava.awt.headless=true -jar "JmolData.jar" -J "prompt 'ok' " JmolData using command options ["-J", "prompt 'ok'"] {headlistMaxTimeMs=60000, noConsole=true, exit=true, JmolData=true, isDataOnly=t rue} *Operating headless* display=null nographicsallowed=false (C) 2012 Jmol Development Jmol Version: 14.3.15_2015.06.18 2015-06-18 14:51 java.vendor: Java: Oracle Corporation java.version: Java 1.7.0_71 On Thu, Jun 18, 2015 at 1:26 PM, Whitwell, George <GWh...@nc...> wrote: > Hello, > > > > I'm using JmolData.jar to load a SMILES string and output the molecule in > xyz format: > > > > java -jar "%JMOL_HOME%\JmolData.jar" -ion -s headless.spt $CC > > where headless.spt consists of: > > > > molunit = _arguments[1] > > load @molunit > > ml = molunit.length > > xyzwrite = molunit[2][ml] + ".xyz" > > write @xyzwrite > > > > In this case, the file ".xyz" is written (containing XYZ format for the > ethane molecule), while: > > > > script headless.spt("$CC") > > > > in the application console writes the same file as "CC.xyz", as expected. > Why is this and what can I do about it? > > > > Thanks, > > George > > > ------------------------------------------------------------------------------ > > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Department of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |