java.lang.IllegalArgumentException: R-atom in multicenter gr

Hi,





mrv file generates structure count (25), but can not create the structures





and crashes. Mview 5.1.3.2

















Solved problem by removing multicenter attachements (*) from R1 and R1











Tobias














--------------------














ViewTableUtil.showMolecules:


java.lang.IllegalArgumentException: R-atom in multicenter group: 11


at chemaxon.enumeration.ExpansionUtil.insertRgroupMember(ExpansionUtil.java:240)


at chemaxon.enumeration.RgroupEnumerator.generateOutMol(RgroupEnumerator.java:277)


at chemaxon.enumeration.RgroupEnumerator.nextElement0(RgroupEnumerator.java:169)


at chemaxon.enumeration.MolEnumerator.nextElement(MolEnumerator.java:629)


at chemaxon.enumeration.CombinationEnumerator.addEnumerators(CombinationEnumerator.java:344)


at chemaxon.enumeration.CombinationEnumerator.nextElement0(CombinationEnumerator.java:388)


at chemaxon.enumeration.MolEnumerator.nextElement(MolEnumerator.java:629)


at chemaxon.marvin.calculations.MarkushEnumerationPlugin.getNextStructure(MarkushEnumerationPlugin.java:690)


at chemaxon.marvin.calculations.MarkushEnumerationPlugin$ResultIterator.next(MarkushEnumerationPlugin.java:142)


at chemaxon.marvin.plugin.PluginMDocSource.nextDoc(PluginMDocSource.java:64)


at chemaxon.marvin.io.CleanedMDocSource.nextDoc(CleanedMDocSource.java:49)


at chemaxon.marvin.io.RewindableMDocSource.readDocSource(RewindableMDocSource.java:124)


at chemaxon.marvin.io.RewindableMDocSource.nextDoc(RewindableMDocSource.java:78)


at chemaxon.marvin.view.MDocStorage.readDoc(MDocStorage.java:2494)


at chemaxon.marvin.view.MDocStorage.tryToExtend(MDocStorage.java:839)


at chemaxon.marvin.view.MDocStorage.getMainDoc(MDocStorage.java:761)


at chemaxon.marvin.view.swing.ViewTableUtil.examine(ViewTableUtil.java:258)


at chemaxon.marvin.view.swing.ViewTableUtil.initTable0(ViewTableUtil.java:291)


at chemaxon.marvin.view.swing.ViewTableUtil.initTable(ViewTableUtil.java:282)


at chemaxon.marvin.view.swing.ViewTableUtil$1.run(ViewTableUtil.java:184)


at java.awt.event.InvocationEvent.dispatch(Unknown Source)


at java.awt.EventQueue.dispatchEvent(Unknown Source)


at java.awt.EventDispatchThread.pumpOneEventForFilters(Unknown Source)


at java.awt.EventDispatchThread.pumpEventsForFilter(Unknown Source)


at java.awt.EventDispatchThread.pumpEventsForHierarchy(Unknown Source)


at java.awt.EventDispatchThread.pumpEvents(Unknown Source)


at java.awt.EventDispatchThread.pumpEvents(Unknown Source)


at java.awt.EventDispatchThread.run(Unknown Source)


Exception in thread "Thread-4" java.lang.NullPointerException


at chemaxon.marvin.io.RewindableMDocSource.readTemp(RewindableMDocSource.java:165)


at chemaxon.marvin.io.RewindableMDocSource.nextDoc(RewindableMDocSource.java:71)


at chemaxon.marvin.view.MDocStorage.readDoc(MDocStorage.java:2494)


at chemaxon.marvin.view.MDocStorage.getMainDoc(MDocStorage.java:772)


at chemaxon.marvin.view.swing.ViewTableUtil.fillCells(ViewTableUtil.java:507)


at chemaxon.marvin.view.swing.ViewTableUtil.showMolecules(ViewTableUtil.java:213)


at chemaxon.marvin.view.swing.ViewTableUtil.showMolecules(ViewTableUtil.java:133)


at chemaxon.marvin.view.swing.modules.MolsFrame.build(MolsFrame.java:167)


at chemaxon.marvin.view.swing.modules.MolsFrame.callback(MolsFrame.java:225)


at chemaxon.marvin.calculations.MultipleMoleculeDisplay.getResultComponent(MultipleMoleculeDisplay.java:264)


at chemaxon.marvin.plugin.CalculatorPluginManager.displayResult(CalculatorPluginManager.java:200)


at chemaxon.marvin.plugin.CalculatorPluginManager.runPlugin(CalculatorPluginManager.java:161)


at chemaxon.marvin.plugin.CalculatorPluginManager.runPlugin(CalculatorPluginManager.java:109)


at chemaxon.marvin.plugin.CalculatorPluginManager.callback(CalculatorPluginManager.java:77)


at chemaxon.marvin.plugin.PluginManager.callback(PluginManager.java:87)


at chemaxon.marvin.common.swing.MolPanel.run(MolPanel.java:2155)


at java.lang.Thread.run(Unknown Source)

OK, thanks.





Please see the correct usage of multicenters in the documentation:








http://www.chemaxon.com/marvin/help/calculations/markush.html#feat_posvarbonds


http://www.chemaxon.com/marvin/help/sketch/sketch-basic.html#markush-structures





Best regards,





Szabolcs