Error importing mol in 15.1.12.0 comparing to 5.10.0

Hi all,

 

For the attached mol I get the following error on 15.1.12.0:

 

ORA-29875: failed in the execution of the ODCIINDEXINSERT routine


ORA-29532: Java call terminated by uncaught Java exception: java.rmi.ServerException: RemoteException occurred in server thread; nested exception is: 


 java.rmi.RemoteException: chemaxon.jchem.db.UpdateHandlerException: java.lang.UnsupportedOperationException: Adding the same attachment point order(3) to several atoms is not supported.


Caused by:


Adding the same attachment point order(3) to several atoms is not supported.; nested exception is: 


 java.lang.UnsupportedOperationException: Adding the same attachment point order(3) to several atoms is not supported.


ORA-06512: at "JCHEM_GG_EDITORIAL.JCHEM_CLOB_PKG", line 114


ORA-06512: at "JCHEM_GG_EDITORIAL.JC_IDXTYPE_IM", line 659


ORA-06512: at "GG_EDITORIAL.JCHEM_SERVICE", line 231


ORA-06512: at "GG_EDITORIAL.JCHEM_SERVICE", line 758


ORA-06512: at line 1

 

but for version 5.10.0 it works ok

Hi Alena,

We have fixed this bug in JChem version 15.1.26. See our History of changes. Please, update your system, and let us know if the problem persists. (I could successfully import your structure with the latest version of JChem.)

Best regards,

Krisztina

Hi Krisztina,

thanks a lot for a quick answer.

There's one little question left.

We think we have a duplicate of this structure, but search (jc_compare with t:d param) doesn't find it (in version 5.10.0)

It's in the attach.

Regards,

Alena

 

Hi Alena,

Is seems, there are two missing stereocenter stereo bonds in  PL3994.mol compared to PL3994_Int.mol, and duplicate search requires matching of all stereo information.

See their pictures.

Best regards,

Krisztina

Hi Krisztina,

You are right, now I see. 

Thanks a lot!

Regards,

Alena