JchemSearch in v3.2.2

Hi.


I have some troubles with search in Jchem in the new version. While searching for a compound I already have in the DB, I copy from the Marvin applet, then paste in MarvinSketch and then issue a search. The compound is found with a similarity of 0.98 (was 1.0 previously) and cannot be found with an EXACT or PERFECT search.


As I use a PERFECT search to check if a structure exists before inserting it, I will end up with duplicates.


What is really disturbing is that if I insert a structure (already existing but not found), further searches won't find it either !


Here is the code use for searching (I have tried several other variations leading to the same results)


String sMol = Mol.toFormat("mol");


searcher.setQueryStructure(sMol);


searcher.setConnectionHandler(ch);


searcher.setStructureTable("STRUCTURE");


searcher.setSearchType(JChemSearch.PERFECT);


searcher.setMaxResultCount(1);


searcher.setMaxTime(60000);


searcher.setWaitingForResult(true);


searcher.run();


In JChemProperties table, the .version is 33, jchem is 3.2.2 and Marvin 4.1.4.


I must add that previous .version in DB was 9 (and was working...) and that I have ran jcman either with r and u options.


Please let me know what I can do to restore the good behavior





Regards,


Fabien

Hi Fabien,





We have fixed a fingerprint bug in JChem 3.2.3 (the latest version), and it seems to me that your compound is handled correctly in that version. (Exact, perfect and similarity searching seems OK to me.)





I tested on our public JSP example (table editexample):





http://www.chemaxon.com/jchem/examples/jsp1_x/index.jsp





Best regards,


Szabolcs

Hi Szabolcs


It seems ok.





Thanks for support


Fabien