license requirement for substructure search

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

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

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)

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

Hi Lei,





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


Thank you for reporting!





Tamás

Tamás,





Wonderful!





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





Regards,





Lei