indexing error with jchem 14.10.13.0 - ChemAxon Forum Archive

User f05f6b8c05

16-10-2014 03:25:56

Hi,

When we try to index the below mol file with this command:

create index compounds_jc_idx on compounds(mol_structure) indextype is jchem.jc_idxtype PARAMETERS('idxSubType=structures,structureType=molecules,std_config=aromatize')

we see the following error, which we did not see in jchem cartridge 5.12:

ORA-29855: error occurred in the execution of ODCIINDEXCREATE routine

ORA-20101: Error in smarts atom expression '[L-SER46]'

ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 45

ORA-06512: at "JCHEM.JC_IDXTYPE_IM", line 29

Is there a way to prevent this error during interpretation of the mol data?

Thanks, Andrew

No-structure mol file that causes error:

[L-SER46] OMEGA-AGATOXIN TK

Mrv0541 12161217082D

0 0 0 0 0 0 999 V2000

M END

ChemAxon abe887c64e

16-10-2014 09:58:26

Hi Awrk,

Thank you for the notification. We could reproduce the problem, which is the erroneous interpretation of the structure as smarts instead of molfile. We'll be back when the bugfix is ready.

Best regards,

Krisztina

User f05f6b8c05

17-10-2014 15:40:46

Thank you for confirming the issue. Best, Andrew

ChemAxon abe887c64e

12-11-2014 14:48:53

Hi Andrew,

I would like to inform you that the latest downloadable JChem version, 14.11.10, contains the bugfix relating the error you reported.

Best regards,

Krisztina