Hi Bob,
thanks for clarifying this.
nick
On Thu, Jun 18, 2009 at 22:12, Robert Hanson <[email protected]> wrote:
> 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
>
>
> ------------------------------------------------------------------------------
> Crystal Reports - New Free Runtime and 30 Day Trial
> Check out the new simplified licensing option that enables unlimited
> royalty-free distribution of the report engine for externally facing
> server and web deployment.
> http://p.sf.net/sfu/businessobjects
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
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Check out the new simplified licensing option that enables unlimited
royalty-free distribution of the report engine for externally facing
server and web deployment.
http://p.sf.net/sfu/businessobjects
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