Problem with tdf=y index option for some structures

User cf4264f752

13-02-2012 20:25:42

Hi all!

Here is our problem. We're trying to recreate Jchem index with 'tdf=y'option to enable tautomer search and several structures failed to be indexed. Most of them have the same polymeric part [C-C-O]n - see files Octoxinol.mol and Prothecan.mol and there are two others without this polymeric part - see AlaGluGlnLeuAlaGlnGlnAlaHisSerAsnArgLysLeuMetGluIleIleMetAlaPheHisLeuLeuArgGluValLeuAsp.mol and pL and ce6.mol


Oracle environment: 

Oracle Database 11g Enterprise Edition Release - 64bit Production

PL/SQL Release - Production

CORE Production

TNS for Linux: Version - Production

NLSRTL Version - Production


JChem owner: JCHEM_DEVEL


JChem Server environment: 

Java VM vendor: Sun Microsystems Inc.

Java version: 1.6.0_30

Java VM version: 20.5-b03

JChem version: 5.8.0

JChem Index version: 5080000

JDBC driver version:


ChemAxon 42004978e8

15-02-2012 17:00:36

Hi Alena,

The problem occurs when structures with SRU sgroups and hydrogen endgroups are used in a tautomer duplicate filtering table.

We will check the problem.



ChemAxon 42004978e8

24-02-2012 10:38:30

Hi Alena,


We have found the source of the problem. Polimers with hydrogen endgroups cannot be inserted to tdf tables. The issue will be fixed in version 5.9, which is released in the comming weeks.


Thanks for reporting this bug!



User cf4264f752

24-02-2012 10:58:50

Thanks, Robert!


We'll be waiting for new release.