jchemManger and Markush structure

Dear Chemaxon,





I want to import a sdf file in a mysql database.


I use jchemanager but i have a error on a molecule.





JchemManager doesn't want to import a molecule, the message is : "insertion a query or Markush structure is not allowed for table .... ".





The molecule is :


Smile :

.

.C[C@@H](O)[C@H](C)NC1=NC2=CC=CC=C2S1


Formula : C11H14N2OR2S


Weight : 222.3044





Do you have an idea about this error ?





Thanks,





Karim.

Hi Karim,





your SMILES in fact is a SMARTS and it contains two 'any' atom on front of the string:

.

.


'Any atom' is a query feature, it can be used in query structures or markush structures only.


See this: http://www.chemaxon.com/jchem/doc/user/Query.html#generatom





Edvard

Please use the "Any structure" table type instead of "Molecules". You will be able to import your structure to this kind of table.


See: http://www.chemaxon.com/jchem/doc/admin/#tableTypes





Best regards,


Szabolcs

It's Ok with a structure table.





Thanks Chemaxon !