Div 0 during stereoisomercleaning in Marvin 5.1.0

Hi,


I get a division by zero if I want to create the stereoisomers of


(1R,2R,3S,4S,5S,6S,7R,8R)-9- methylidenepentacyclo[4.3.0.0^{2,5}.0^{3,8}.0^{4,7}]nonane





(Its a a cubane with a CH2, synthesis possibly possible)





Smiles: [H]\C([H])=C1/[C@@]2([H])[C@@]3([H])[C@@]4([H])[C@]1([H])[C@@]1([H])[C@]2([H])[C@]3([H])[C@@]41[H]





This happens only if hydrogenized + 3D generation and isomers generated from the 3D structure and clean invalid 3D structures is checked.





Bye


Tobias





ERROR:


[H]\C([H])=C1/[C@]2([H])[C@]3([H])[C@]4([H])[C@]1([H])[C@]1([H])[C@]2([H])[C@]3([H])[C@]41[H]


Exception in thread "Thread-5" java.lang.ArithmeticException: / by zero


at chemaxon.marvin.view.swing.modules.MolsView.createViewPanel(MolsView.java:127)


at chemaxon.marvin.view.swing.modules.MolsView.callback(MolsView.java:198)


at chemaxon.marvin.calculations.MultipleMoleculeDisplay.getResultComponent(MultipleMoleculeDisplay.java:240)


at chemaxon.marvin.plugin.CalculatorPluginManager.displayResult(CalculatorPluginManager.java:192)


at chemaxon.marvin.plugin.CalculatorPluginManager.runPlugin(CalculatorPluginManager.java:160)


at chemaxon.marvin.plugin.CalculatorPluginManager.runPlugin(CalculatorPluginManager.java:108)


at chemaxon.marvin.plugin.CalculatorPluginManager.callback(CalculatorPluginManager.java:76)


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


at chemaxon.marvin.common.swing.MolPanel.run(MolPanel.java:2105)


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

Hi,





We have fixed the division by zero error, the fix will be available in the next release. In this case none of the stereoisomers were recognized as valid 3D structures (because of a bug in Clean3D, see also this post), all were filtered out, and the zero number of structures caused the division by zero error.





Thanks for the report.


Zsolt