license requirement for substructure search

User f3fa960d56

31-03-2009 20:37:06

Hi,





I tried to do a substructure search against a structure table created by JChemManager and got the following error:  So I wonder what ChemAxon component license needed to do a structure search.





thank you very much,





Lei





--------------------------





Exception in thread "main" chemaxon.license.LicenseException: No valid license has been found.


Product name: Markush Enumeration Plugin

ChemAxon a9ded07333

01-04-2009 09:00:27

Hi Lei,





For debugging please share with us the following information:





- JChem version


- query (and possibly some target) molecule(s)


- whole exception trace





Thank you,


Tamás

User f3fa960d56

01-04-2009 13:45:54

Tamás,





I just want to know what are the required licenses in order to run a substructure search against database structure table.   





Here are the infos:





thanks,





Lei





-------------------------------------------





JChem version: 5.2.0





---------------------------------------





query:





        String mol = "
  • c1cccc([Cl,Br])c1"; // Query structure


            String structureTableName = "staging.TEST_STRUSTURE";


            JChemSearch searcher = new JChemSearch(); // Create searcher object


            searcher.setQueryStructure(mol);


            searcher.setConnectionHandler(vHandler);


            searcher.setStructureTable(structureTableName);


            JChemSearchOptions


                searchOptions = new JChemSearchOptions();


            searchOptions.setSearchType(JChemSearch.SUBSTRUCTURE);


            searcher.setSearchOptions(searchOptions);


            searcher.run();








    ----------------------------------------------------------------------





    Exception Trace





    Exception in thread "main" chemaxon.license.LicenseException: No valid license has been found.


    Product name: Markush Enumeration Plugin


    License path: C:\Documents and Settings\xiale.NORTHAMERICA\chemaxon\license.cxl


    Please contact [email protected] to obtain the corresponding license.


    Students and academic researchers are entitled of free use


    through our Academic Package, for more information


    please visit: http://www.chemaxon.com/acpack_conditions.html


     at chemaxon.license.LicenseHandler.checkLicense(LicenseHandler.java:405)


     at chemaxon.enumeration.CombinationEnumerator.checkLicense(CombinationEnumerator.java:486)


     at chemaxon.enumeration.CombinationEnumerator.nextElement0(CombinationEnumerator.java:226)


     at chemaxon.enumeration.MolEnumerator.nextElement(MolEnumerator.java:278)


     at chemaxon.enumeration.CombinationEnumerator.addEnumerators(CombinationEnumerator.java:164)


     at chemaxon.enumeration.CombinationEnumerator.nextElement0(CombinationEnumerator.java:202)


     at chemaxon.enumeration.MolEnumerator.nextElement(MolEnumerator.java:278)


     at chemaxon.jchem.db.JChemSearch.enumeratedSearch(JChemSearch.java:5010)


     at chemaxon.jchem.db.JChemSearch.search1(JChemSearch.java:2313)


     at chemaxon.jchem.db.JChemSearch.search(JChemSearch.java:2121)


     at chemaxon.jchem.db.JChemSearch.setRunning(JChemSearch.java:1952)


     at chemaxon.jchem.db.JChemSearch.run(JChemSearch.java:1979)


     at name.cchem.tes.test.StructureTest.doTest(StructureTest.java:48)


     at name.cchem.tes.test.StructureTest.main(StructureTest.java:22)
  • ChemAxon a3d59b832c

    02-04-2009 10:23:47

    Quote:
    I just want to know what are the required licenses in order to run a substructure search against database structure table.


    JChem Base license should be enough to search against a JChem table of type molecules.














    So it is likely that it is a bug in our code. We will send you an evaluation license for the mentioned Markush Enumeration plugin, so that you can continue your work until we fix the bug.





    I am sorry for the inconvenience.





    Best regards,





    Szabolcs

    ChemAxon a9ded07333

    03-04-2009 09:28:06

    Hi Lei,





    I've fixed the bug in JChem 5.2.1, it's scheduled to release next week.


    Thank you for reporting!





    Tamás

    User f3fa960d56

    03-04-2009 14:19:46

    Tamás,





    Wonderful!





    Thank you very much for your quick response.  It is really my pleasure to work with ChemAxon developers.





    Regards,





    Lei