Conversion Problem

 

 

Hello,

I am facing a strange and urgent problem here. I have set up my application so as to use Jchem Web Services. I have a table of type Query Structures that I used for structure search. I have imported a few structures into the table. however, for some unknown reasons, they cannot be converted into smarts, resulting in the cd_smarts attribute being "NULL". This is strange because when I am using locally the very same version of jchem use on the webservice, I can convert the mol files into smarts.

Attached is an. Please could you let me know what is going on and how to solve this?

 

Regards,

Thanks

Mr Yan

Hi, 

 

  Which version do you use? Does cd_structure appears correctly? Have you tried to import the file with JChem manager and is the result consistent with WS JChem results?

 

Gabor

Hi,

 

I am using the 6.1.2.

The results of jchem base and jchem webservices are not consistent. Some of the structures that do not have smiles are pretty simple. The cd_structures appear correctly in jchem base and also on the webservice

Thank you

Mr Yan

Dear Mr. Yan,

  It is unclear from your question whether you try to import into reaction or any structure type table, but we are going to check your file and let you know whether we found aything suspicious.

 

Gabor

Hi Gabor,

 

I tried to insert the structure into two tables of type "QueryStructures" and "AnyStructures", respectively.

Thanks,

Yannick