User 870ab5b546
16-09-2011 19:35:30
Marvin 5.6.0.0. Draw this structure:
<?xml version="1.0" ?>
<cml>
<MDocument>
<MChemicalStruct>
<molecule molID="m1">
<atomArray
atomID="a1 a2 a3 a4 a5 a6 a7 a8"
elementType="O C C C C C R H"
formalCharge="0 0 0 0 0 0 0 1"
sgroupRef="0 0 0 0 0 0 sg1 0"
x2="1.058750033378601 -0.2749193076696572 -0.2749193076696572 1.058750033378601 2.3924193744268596 2.3924193744268596 3.7261033865640902 1.5399999618530273"
y2="2.502533857276223 1.7325169167171826 0.19248303559910152 -0.5775339049599391 0.19248303559910152 1.7325169167171826 2.502508446391074 4.8125"
/>
<bondArray>
<bond atomRefs2="a1 a2" order="1" />
<bond atomRefs2="a2 a3" order="1" />
<bond atomRefs2="a3 a4" order="1" />
<bond atomRefs2="a4 a5" order="1" />
<bond atomRefs2="a5 a6" order="1" />
<bond atomRefs2="a1 a6" order="1" />
<bond atomRefs2="a6 a7" order="1" />
</bondArray>
<molecule id="sg1" role="SuperatomSgroup" title="OMe" leftName="MeO" molID="m2">
<atomArray
atomID="a9 a10"
elementType="O C"
attachmentPoint="1 0"
sgroupAttachmentPoint="1 0"
x2="3.08158449889003 3.85160143944907"
y2="-0.5388066895640797 0.7948626514841783"
/>
<bondArray>
<bond atomRefs2="a10 a9" order="1" />
</bondArray>
</molecule>
</molecule>
</MChemicalStruct>
</MDocument>
</cml>
Note draw an electron-flow arrow from the OMe group to the H+. If you try to look at the MRV, you get this error:
ERROR:
Cannot convert molecule to 'mrv' format
STACK TRACE:
chemaxon.marvin.io.MolExportException: document does not contain MolAtom@279a0eb1[O] in MEFlowBasePoint
at chemaxon.marvin.io.formats.cml.MrvExport.a(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.a(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.a(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.a(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.convert(Unknown Source)
at chemaxon.struc.Molecule.a(Unknown Source)
at chemaxon.struc.Molecule.a(Unknown Source)
at chemaxon.struc.MDocument.exportToObject(Unknown Source)
at chemaxon.struc.MDocument.exportToFormat(Unknown Source)
at chemaxon.marvin.common.swing.modules.EditMolfileFrame.a(Unknown Source)
at chemaxon.marvin.common.swing.modules.EditMolfileFrame.c(Unknown Source)
at chemaxon.marvin.common.swing.modules.EditMolfileFrame.setExportFormat(Unknown Source)
at chemaxon.marvin.common.swing.modules.EditMolfileFrame.callback(Unknown Source)
at chemaxon.marvin.common.swing.MolPanel.editSource(Unknown Source)
at chemaxon.marvin.sketch.swing.SketchPanel.c(Unknown Source)
at chemaxon.marvin.sketch.swing.SketchPanel.doSource(Unknown Source)
at chemaxon.marvin.sketch.swing.actions.SourceAction.actionPerformed(Unknown Source)
at javax.swing.AbstractButton.fireActionPerformed(AbstractButton.java:2028)
at javax.swing.AbstractButton$Handler.actionPerformed(AbstractButton.java:2351)
at javax.swing.DefaultButtonModel.fireActionPerformed(DefaultButtonModel.java:387)
at javax.swing.DefaultButtonModel.setPressed(DefaultButtonModel.java:242)
at javax.swing.AbstractButton.doClick(AbstractButton.java:389)
at javax.swing.plaf.basic.BasicMenuItemUI.doClick(BasicMenuItemUI.java:809)
at javax.swing.plaf.basic.BasicMenuItemUI$Handler.mouseReleased(BasicMenuItemUI.java:850)
at java.awt.Component.processMouseEvent(Component.java:6373)
at javax.swing.JComponent.processMouseEvent(JComponent.java:3267)
at java.awt.Component.processEvent(Component.java:6138)
at java.awt.Container.processEvent(Container.java:2085)
at java.awt.Component.dispatchEventImpl(Component.java:4735)
at java.awt.Container.dispatchEventImpl(Container.java:2143)
at java.awt.Component.dispatchEvent(Component.java:4565)
at java.awt.LightweightDispatcher.retargetMouseEvent(Container.java:4621)
at java.awt.LightweightDispatcher.processMouseEvent(Container.java:4282)
at java.awt.LightweightDispatcher.dispatchEvent(Container.java:4212)
at java.awt.Container.dispatchEventImpl(Container.java:2129)
at java.awt.Component.dispatchEvent(Component.java:4565)
at java.awt.EventQueue.dispatchEventImpl(EventQueue.java:679)
at java.awt.EventQueue.access$000(EventQueue.java:85)
at java.awt.EventQueue$1.run(EventQueue.java:638)
at java.awt.EventQueue$1.run(EventQueue.java:636)
at java.security.AccessController.doPrivileged(Native Method)
at java.security.AccessControlContext$1.doIntersectionPrivilege(AccessControlContext.java:87)
at java.security.AccessControlContext$1.doIntersectionPrivilege(AccessControlContext.java:98)
at java.awt.EventQueue$2.run(EventQueue.java:652)
at java.awt.EventQueue$2.run(EventQueue.java:650)
at java.security.AccessController.doPrivileged(Native Method)
at java.security.AccessControlContext$1.doIntersectionPrivilege(AccessControlContext.java:87)
at java.awt.EventQueue.dispatchEvent(EventQueue.java:649)
at java.awt.EventDispatchThread.pumpOneEventForFilters(EventDispatchThread.java:296)
at java.awt.EventDispatchThread.pumpEventsForFilter(EventDispatchThread.java:211)
at java.awt.EventDispatchThread.pumpEventsForHierarchy(EventDispatchThread.java:201)
at java.awt.EventDispatchThread.pumpEvents(EventDispatchThread.java:196)
at java.awt.EventDispatchThread.pumpEvents(EventDispatchThread.java:188)
at java.awt.EventDispatchThread.run(EventDispatchThread.java:122)
I'm using iCab 4.8 applet on MacOS 10.5. (The only MacOS 10.5 browser that works with Marvin 5.5+.)