JChem perfect searches and "undefined" bonds

User 77bcbbb206

20-12-2006 17:14:07

Hello All,





I have a question about the expected behavior of a perfect search when the query supplied has an "undefined" bond (seen in attached lowest image). The first two queries return the exact matches of molecule and its stereo chemistry, but third specifies that either should be returned....?





Is this query self-defeating in that you can't obtain a perfect match of an unspecified bond structure?





Thanks in advance,


Jim

ChemAxon a3d59b832c

20-12-2006 22:15:54

Hi Jim,





Each of these molecules only return themselves during perfect search.





The "either" bond works as you described when exact stereo matching is false(default for example substructure or exact search), but perfect search sets this to true.





Best regards,


Szabolcs