NPE during ConfGen

Hi,


I opened a file, did some conformer calcs here and there, then an NPE occurred and the window in Marvin View is grayed out.





Two files attached.





Exception in thread "Thread-5" java.lang.NullPointerException


at chemaxon.marvin.modules.MolImport.readBondBlockV2(MolImport.java:1128)


at chemaxon.marvin.modules.MolImport.readCtab(MolImport.java:987)


at chemaxon.marvin.modules.MolImport.readMol0(MolImport.java:681)


at chemaxon.marvin.modules.MolImport.readMol(MolImport.java:265)


at chemaxon.formats.MolImporter.readDoc(MolImporter.java:697)


at chemaxon.formats.MolImporter.nextDoc(MolImporter.java:622)


at chemaxon.marvin.view.MDocStorage.readDoc(MDocStorage.java:2289)


at chemaxon.marvin.view.MDocStorage.tryToExtend(MDocStorage.java:866)


at chemaxon.marvin.view.MDocStorage.getMainDoc(MDocStorage.java:813)


at chemaxon.marvin.view.swing.modules.GridBagView.getDocument(GridBagView.java:601)


at chemaxon.marvin.view.swing.modules.GridBagView.setVisibleCanvas(GridBagView.java:1028)


at chemaxon.marvin.view.swing.ViewPanel.setVisibleCanvas(ViewPanel.java:1817)


at chemaxon.marvin.view.swing.modules.GridBagView.setVisibleCell(GridBagView.java:1467)


at chemaxon.marvin.view.swing.modules.GridBagView.visibleCells(GridBagView.java:1668)


at chemaxon.marvin.view.swing.modules.GridBagView.update(GridBagView.java:3194)


at chemaxon.marvin.view.swing.modules.GridBagView.access$800(GridBagView.java:45)


at chemaxon.marvin.view.swing.modules.GridBagView$8.run(GridBagView.java:3162)


at chemaxon.marvin.util.ThreadSerializer$1.run(ThreadSerializer.java:97)





(Marvin 4.1.11)


Tobias

I did not managed to reproduce this exception with the attached molecules.


Which option did you use by the calculation? (I used the default ones.)

Tamas,


I tried on another system and could not reproduce either.


I used maximum settings (all enabled, very strict).


Tobias

Can you describe in details what you had done before the exception invoked?


Did you select the "Store conformer information in property field"?


Did you update the current cell with any calculated result?

Hi,


I just copied the error and the files and I don't have any settings left. Sorry.


Tobias