Molecule not loadable

User 5aca842213

08-02-2011 16:21:45

The attached molecule, is not loadable at the database. It's composed by 3 O and 2 Ti

The message when executing jcman is :

Collecting file information ...
 Done.
Importing structures from XXXXX..
Error in molecule 1
java.util.concurrent.ExecutionException: chemaxon.util.concurrent.processors.WorkUnitException: chemaxon.jchem.db.UpdateHandlerException: Inserting a query or Markush structure is not allowed for table: "public.mols"
    at chemaxon.util.concurrent.processors.WorkUnitData.getResult(Unknown Source)
    at chemaxon.util.concurrent.processors.ScheduledWorkUnitData.getResult(Unknown Source)
    at chemaxon.util.concurrent.processors.WorkUnitDataIterator.getNext(Unknown Source)
    at chemaxon.jchem.db.ParallelStructTableUpdater.importFile(ParallelStructTableUpdater.java:365)
    at chemaxon.jchem.db.FileToSQLHandler.importFile(FileToSQLHandler.java:129)
    at chemaxon.jchem.db.Importer.importMols(Importer.java:516)
    at chemaxon.jchem.Command.importFromFile(Command.java:1223)
    at chemaxon.jchem.Command.run(Command.java:677)
    at chemaxon.jchem.Command.main(Command.java:226)
Caused by: chemaxon.util.concurrent.processors.WorkUnitException: chemaxon.jchem.db.UpdateHandlerException: Inserting a query or Markush structure is not allowed for table: "public.mols"
    at chemaxon.util.concurrent.processors.InputOrderedWorkUnitProcessor.process(Unknown Source)
    at chemaxon.util.concurrent.processors.InputOrderedWorkUnitProcessor.processInput(Unknown Source)
    at chemaxon.util.concurrent.processors.WorkUnitWorker.work0(Unknown Source)
    at chemaxon.util.concurrent.processors.WorkUnitWorker.work(Unknown Source)
    at chemaxon.util.concurrent.worker.Worker$1.call(Unknown Source)
    at java.util.concurrent.FutureTask$Sync.innerRun(FutureTask.java:303)
    at java.util.concurrent.FutureTask.run(FutureTask.java:138)
    at chemaxon.util.concurrent.worker.Worker.run(Unknown Source)
    at java.util.concurrent.Executors$RunnableAdapter.call(Executors.java:441)
    at java.util.concurrent.FutureTask$Sync.innerRun(FutureTask.java:303)
    at java.util.concurrent.FutureTask.run(FutureTask.java:138)
    at java.util.concurrent.ThreadPoolExecutor$Worker.runTask(ThreadPoolExecutor.java:886)
    at java.util.concurrent.ThreadPoolExecutor$Worker.run(ThreadPoolExecutor.java:908)
    at java.lang.Thread.run(Thread.java:619)
Caused by: chemaxon.jchem.db.UpdateHandlerException: Inserting a query or Markush structure is not allowed for table: "public.mols"
    at chemaxon.jchem.db.UpdateHandler.readMolecule(UpdateHandler.java:1351)
    at chemaxon.jchem.db.UpdateHandler.init(UpdateHandler.java:1120)
    at chemaxon.jchem.db.UpdateHandler.createRowData(UpdateHandler.java:3270)
    at chemaxon.jchem.db.UpdateHandler.createRowData(UpdateHandler.java:3250)
    at chemaxon.jchem.db.ParallelStructTableUpdater$UpdateHandlerAdapter.process(ParallelStructTableUpdater.java:121)
    at chemaxon.util.concurrent.util.AbstractWorkUnit.call(Unknown Source)
    ... 14 more

Total number of processed molecules: 1
Not imported (error): 1
Successfully imported: 0
Elapsed time: 1 seconds
 Done.

Do I have to change any option of the molecule table?

Thank you very much.

Best regards,

ChemAxon e274e1bada

08-02-2011 17:32:32

Hi Joan,


It seems to be the specified molecule contains a sort of query or markush feature. It does not turn out from the picture which you attached, so please send me the original source of the molecule. (SMILES, MOL, or other format)


These molecules can be imported to ANY , Markush or Query type tables only. I recommend you to use Any table type for import, because Markush and Query tables are special table types forMarkush and  Superstructure search.


Regards, Edvard

User 5aca842213

08-02-2011 19:16:45

Hello


I changed the type to Any and now the problem is solved.


Thank you.


Best regards,


Joan