MRV copy with libmcs

Hi,


after 5 consecutive clustering steps I wanted to copy a compound to another app and I got the JAVA bug 4274061 "Cannot convert molecule to mrv) similar to already reported with JCHEM in http://www.chemaxon.com/forum/ftopic2790.html





The copy is actually performed. Using SMILES also helps.


This is libmcs 0.7


Tobias

Code:

java.lang.RuntimeException: MObjectProp cannot be exported    at chemaxon.struc.prop.MObjectProp.convertToString(MObjectProp.java:60)    at chemaxon.marvin.io.formats.cml.CMLExport.propertyToString(CMLExport.java:420)    at chemaxon.marvin.io.formats.cml.CMLExport.appendPropertyList(CMLExport.java:405)    at chemaxon.marvin.io.formats.cml.CMLExport.appendPropertyList(CMLExport.java:353)    at chemaxon.marvin.io.formats.cml.CMLExport.appendMolecule0(CMLExport.java:325)    at chemaxon.marvin.io.formats.cml.CMLExport.appendMolecule0(CMLExport.java:293)    at chemaxon.marvin.io.formats.cml.CMLExport.appendMolecule(CMLExport.java:169)    at chemaxon.marvin.io.formats.cml.MrvExport.appendChemicalStruct(MrvExport.java:384)    at chemaxon.marvin.io.formats.cml.MrvExport.convert0(MrvExport.java:204)    at chemaxon.marvin.io.formats.cml.MrvExport.convert(MrvExport.java:171)    at chemaxon.struc.Molecule.exportToObject(Molecule.java:1476)    at chemaxon.struc.Molecule.exportToObject(Molecule.java:1441)    at chemaxon.struc.Molecule.exportToFormat(Molecule.java:1290)    at chemaxon.struc.Molecule.toFormat(Molecule.java:1268)    at chemaxon.marvin.common.swing.modules.MolSelection.callback(MolSelection.java:397)    at chemaxon.marvin.common.swing.MolPanel.setMClipboardMol(MolPanel.java:3266)    at chemaxon.marvin.view.swing.ViewPanel.doCopy(ViewPanel.java:642)    at chemaxon.marvin.view.swing.ViewPanel.doCopy(ViewPanel.java:602)    at chemaxon.marvin.swing.action.CopyAction.doAction(CopyAction.java:41)    at chemaxon.marvin.swing.MAction.actionPerformed(MAction.java:236)    at javax.swing.AbstractButton.fireActionPerformed(Unknown Source)    at javax.swing.AbstractButton$Handler.actionPerformed(Unknown Source)    at javax.swing.DefaultButtonModel.fireActionPerformed(Unknown Source)    at javax.swing.DefaultButtonModel.setPressed(Unknown Source)    at javax.swing.AbstractButton.doClick(Unknown Source)    at javax.swing.plaf.basic.BasicMenuItemUI.doClick(Unknown Source)    at javax.swing.plaf.basic.BasicMenuItemUI$Handler.mouseReleased(Unknown Source)    at java.awt.Component.processMouseEvent(Unknown Source)    at javax.swing.JComponent.processMouseEvent(Unknown Source)    at java.awt.Component.processEvent(Unknown Source)    at java.awt.Container.processEvent(Unknown Source)    at java.awt.Component.dispatchEventImpl(Unknown Source)    at java.awt.Container.dispatchEventImpl(Unknown Source)    at java.awt.Component.dispatchEvent(Unknown Source)    at java.awt.LightweightDispatcher.retargetMouseEvent(Unknown Source)    at java.awt.LightweightDispatcher.processMouseEvent(Unknown Source)    at java.awt.LightweightDispatcher.dispatchEvent(Unknown Source)    at java.awt.Container.dispatchEventImpl(Unknown Source)    at java.awt.Window.dispatchEventImpl(Unknown Source)    at java.awt.Component.dispatchEvent(Unknown Source)    at java.awt.EventQueue.dispatchEvent(Unknown Source)    at java.awt.EventDispatchThread.pumpOneEventForHierarchy(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)

Thanks Tobias.


I managed to reproduce the bug you reported. It's most likely that it is not directly related to libmcs but is a more generic problem. I will check our internal bug tracking system if it's already known and if so then what's the current status of it.


The forum post you linked to does refer to the same error message but I could not find any follow up of this issue in further posts.





Regards,


Miklos