Error creating tdf index with 2H

Error creating an index (with tdf=y) in a plain oracle table with a compound with deuterium 2H isotopes

Hi Guy,

 

- Could you let us know the exact jchem version you use please ?

- Could you post the structure source corresponding to the rowid as a text file please ?

- Could you also attach the full Java stack trace  found in jchem/cartridge/logs ? (or the whole log file for simplicity)

 

Best,

Szilard

Version Info

Oracle environment:
Oracle Database 10g Enterprise Edition Release 10.2.0.3.0 - 64bi
PL/SQL Release 10.2.0.3.0 - Production
CORE    10.2.0.3.0    Production
TNS for Linux: Version 10.2.0.3.0 - Production
NLSRTL Version 10.2.0.3.0 - Production

JChem Server environment:
Java VM vendor: Sun Microsystems Inc.
Java version: 1.6.0_18
Java VM version: 16.0-b13
JChem version: 5.3.8
JChem Index version: 5030300
JDBC driver version: 11.1.0.7.0-Production

 

Create index command:

CREATE INDEX TESTBAD_STRUCT_JC_IDX ON TESTBADMOLS (STRUCTURE) INDEXTYPE IS JCHEM.JC_IDXTYPE
PARAMETERS('tdf=y');

Here is the jcart log file

log file compressed

More Info:

I am working with a plain oracle table.

Structure is stored as a blob.

Hi Guy,

 

Thank you for the detailed bug report.

We could reproduce the problem with version 5.3.8.

It was a bug in the generic tautomer generation.

The bug has been already fixed in the latest version (5.4.0.1), I recommend you to upgrade to this version.

 

Best regards,

 

Szilard