Yes, that's fixed. http://chemapps.stolaf.edu/jmol/Jmol-13.zip
Let me know if that solves the problem. I had no problem loading two simple
files and two trajectories all together. Each trajectory gets its
individual model number, such as 1.1 or 1.2.
On Mon, Aug 6, 2012 at 7:24 AM, Andreas Truszkowski <[email protected]>wrote:
> Hi,
>
> are there any news concerning the problem?
>
> Best regards,
> Andreas
>
> Am 29.07.2012 03:02, schrieb Robert Hanson:
>
> Yes, that's the bug if using append with trajectory. I'll look into it.
>
>
>
> On Fri, Jul 27, 2012 at 4:49 AM, Andreas Truszkowski
> <[email protected]>wrote:
>
>> Hi,
>>
>> reading about 500 models from a XYZ file with load TRAJECTORY "file"
>> seems now to work. See output or attached picture:
>>
>> FileManager.getAtomSetCollectionFromFile(d:\temp\data.xyz.gz)
>> FileManager opening d:\temp\data.xyz.gz
>> The Resolver thinks Xyz
>> openFile(d:\temp\data.xyz.gz): 45664 ms
>> reading 105861 atoms
>> ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false
>> 1 models in this collection. Use getProperty "modelInfo" or getProperty
>> "auxiliaryInfo" to inspect them.
>> 502 trajectory steps read
>> Default Van der Waals type for model set to Babel
>> 105861 atoms created
>> ModelSet: not autobonding; use forceAutobond=true to force automatic
>> bond creation
>>
>> But it's not possible to jump to specific frame or model using the popup
>> menu or following scrip snippets:
>> frame 1.2; display (_H OR _He);
>> model 1.2; display (_H OR _He);
>> select 1.2; display (_H OR _He);
>>
>> Jmol throws always following exception:
>>
>> Exception in thread "QueueThread0"
>> java.lang.ArrayIndexOutOfBoundsException: 1
>> at org.jmol.bspt.Bspf.validate(Unknown Source)
>> at org.jmol.modelset.ModelCollection.initializeBspf(Unknown Source)
>> at org.jmol.modelset.ModelSet.setTrajectory(Unknown Source)
>> at org.jmol.modelset.ModelSet.getModelNumberIndex(Unknown Source)
>> at org.jmol.viewer.Viewer.getModelNumberIndex(Unknown Source)
>> at org.jmol.script.ScriptEvaluator.bitSetForModelFileNumber(Unknown
>> Source)
>> at org.jmol.script.ScriptEvaluator.atomExpression(Unknown Source)
>> at org.jmol.script.ScriptEvaluator.atomExpression(Unknown Source)
>> at org.jmol.script.ScriptEvaluator.select(Unknown Source)
>> at org.jmol.script.ScriptEvaluator.instructionDispatchLoop(Unknown
>> Source)
>> at org.jmol.script.ScriptEvaluator.evaluateCompiledScript(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:722)
>>
>> Any ideas?
>>
>> Kind regards,
>> Andreas
>>
>>
>>
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>>
>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Chemistry Department
> 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
>
>
>
>
> ------------------------------------------------------------------------------
> Live Security Virtual Conference
> Exclusive live event will cover all the ways today's security and
> threat landscape has changed and how IT managers can respond. Discussions
> will include endpoint security, mobile security and the latest in malware
> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
>
>
>
> _______________________________________________
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> [email protected]https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
>
>
> ------------------------------------------------------------------------------
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> Exclusive live event will cover all the ways today's security and
> threat landscape has changed and how IT managers can respond. Discussions
> will include endpoint security, mobile security and the latest in malware
> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
> _______________________________________________
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>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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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Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
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