Some features of [#7]C* cannot be converted to smiles.

When trying to convert the attached mrv to a cxsmiles it throws the following exception. cxsmiles can handle pseudo atoms in single molecules but seems to fail when part of a reaction.





Some features of [#7]C* cannot be converted to smiles. Use the cxsmiles, smarts or cxsmarts format.


at chemaxon.marvin.modules.SmilesExport.throwMolExportExceptionSMILES(SmilesExport.java:4316)


at chemaxon.marvin.modules.SmilesExport.generateSmilesString(SmilesExport.java:1692)


at chemaxon.marvin.modules.SmilesExport.singleMolToSMILES(SmilesExport.java:742)


at chemaxon.marvin.modules.SmilesExport.exportReaction(SmilesExport.java:3942)


at chemaxon.marvin.modules.SmilesExport.toSMILES(SmilesExport.java:616)


at chemaxon.marvin.modules.CxsmilesExport.convert(CxsmilesExport.java:359)


at chemaxon.struc.Molecule.exportToObject(Molecule.java:1324)


at chemaxon.struc.Molecule.exportToObject(Molecule.java:1289)


at chemaxon.struc.Molecule.exportToFormat(Molecule.java:1138)


at chemaxon.struc.Molecule.toFormat(Molecule.java:1116)

Thank you for the report!


We will fix this bug asap.





Andras

I have fixed it.