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] <mailto:[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 ------------------------------------------------------------------------------ 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/ _______________________________________________ Jmol-users mailing list [email protected] <mailto:[email protected]> https://lists.sourceforge.net/lists/listinfo/jmol-users -- 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/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
------------------------------------------------------------------------------ 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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