Definitely works for me. JmolData does not require -n or -o or -x, as it
has no graphical interface and automatically includes those options.
Directory listing shows:
02/07/2014 08:47 AM 15,143 out000000.pov
02/07/2014 08:47 AM 413 out000000.pov.ini
after:
>jmoldata -g800x600 -s JWscript
JmolData using command options ["-g800x600", "-s", "JWscript"]
Add -n (NOGRAPHICS) for faster performance if you are not creating images.
[note - the above message is bogus. It was meant for Jmol, not JmolData. I
will fix that.]
(C) 2012 Jmol Development
Jmol Version: 14.1.8 2014-02-03 06:24:
java.vendor: Oracle Corporation
java.version: 1.7.0
os.name: Windows NT (unknown)
Access: ALL
memory: 11.5/95.0
processors available: 4
useCommandThread: false
Executing script from file: JWscript
FileManager opening 2 JWscript
viewer.getBoolean(colorRasmol) - not listed
[ hmm... ok... I have no idea where that is coming from!]
FileManager.getAtomSetCollectionFromFile(file:t.xyz)
FileManager opening 1 file:t.xyz
The Resolver thinks FoldingXyz
Time for openFile(file:t.xyz): 100 ms
reading 17 atoms
ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
1 model in this collection. Use getProperty "modelInfo" or getProperty
"auxiliar
yInfo" to inspect them.
Default Van der Waals type for model set to Babel
17 atoms created
ModelSet: not autobonding; use forceAutobond=true to force automatic bond
crea
tion
FileManager substituting file:t.xyz --> ./file:t.xyz
[PovRAY image looks great.]
On Fri, Feb 7, 2014 at 8:40 AM, Rolf Huehne <rhue...@fli-leibniz.de> wrote:
> On 02/07/2014 03:20 PM, Stephan Pfadenhauer wrote:
> > Thank you for the fast answer. The problem i encounter is, that using
> > the -x option the the skript works perfektly, but using the -n option
> > the skript halts.
> >
> > Im executing following Jmol Skript called JWscript:
> >
> > load auto "file:./out0.xyz"
> > background [1,1,1]
> > select z < 13
> > color "DARKRED"
> > connect (titanium) (titanium) delete
> > wireframe 40%
> > spacefill 22%
> > zoom 100;
> >
> > var filename = "out"+("000000"+0)[-5][0]+".pov"
> > write POVRAY @filename
> >
> > Using jmol-12 -g800x600 -s JWscript -x it produces the .pov and .pov.ini
> > file and exits, while using jmol-12 -g800x600 -s JWscript -n it just
> > produces the .pov file and stops.
> >
> > Any sugestions for a solution would be appreciated.
> >
> Are you really using 'JmolData.jar' and not 'Jmol.jar' (which has
> additional requirements for command-line use)?
> '-n' works fine for me with Jmol 14.0.5 on Linux.
>
> You should also add option '-o'. This will enable to see all messages
> and error messages.
>
> Regards,
> Rolf
> --
>
> Rolf Huehne
> Postdoc
>
> Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI)
> Beutenbergstrasse 11
> 07745 Jena, Germany
>
> Phone: +49 3641 65 6205
> Fax: +49 3641 65 6210
> E-Mail: rhue...@fli-leibniz.de
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>
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>
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>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor 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
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