The maximum number of models in a file is limited by the format for
describing models:
x.y
where x is the file number and y is the model number in the file. The
limitation on y is 9999.
If you have more than that number of models in a single file, you should
consider using a trajectory and probably load only, say, every 5th model.
Bob
On Thu, Jun 18, 2009 at 8:53 AM, Nicolas Bock <[email protected]> wrote:
> Hello list,
>
> I am trying to read an xyz file into Jmol that has a lot of frames. Jmol
> doesn't load the file and on the java console I get this error message:
>
> 34106 models in this collection. Use getProperty "modelInfo" or getProperty
> "auxiliaryInfo" to inspect them.
> Exception in thread "QueueThread0"
> java.lang.ArrayIndexOutOfBoundsException: -32768
> at org.jmol.modelset.ModelLoader.iterateOverAllNewAtoms(Unknown Source)
> at org.jmol.modelset.ModelLoader.initializeModelSet(Unknown Source)
> at org.jmol.modelset.ModelLoader.<init>(Unknown Source)
> at org.jmol.viewer.ModelManager.setClientFile(Unknown Source)
> at org.jmol.viewer.Viewer.openClientFile(Unknown Source)
> at org.jmol.viewer.Viewer.getOpenFileError(Unknown Source)
> at org.jmol.viewer.Eval.load(Unknown Source)
> at org.jmol.viewer.Eval.instructionDispatchLoop(Unknown Source)
> at org.jmol.viewer.Eval.runEval(Unknown Source)
> at org.jmol.viewer.Viewer.evalStringWaitStatus(Unknown Source)
> at org.jmol.viewer.ScriptManager$ScriptQueueRunnable.runScript(Unknown
> Source)
> at
> org.jmol.viewer.ScriptManager$ScriptQueueRunnable.runNextScript(Unknown
> Source)
> at org.jmol.viewer.ScriptManager$ScriptQueueRunnable.run(Unknown
> Source)
> at java.lang.Thread.run(Thread.java:619)
>
> My completely uneducated guess is that Jmol uses a short signed int for the
> number of models and that's why it's failing, but of course I might be
> completely off here. What is the maximum number of models an xyz file can
> have? Can one raise this limit?
>
> Thanks already, nick
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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