indexing fails when mol file starts with 'BM'

User f05f6b8c05

09-10-2011 21:57:23

Hi,


Is it a known bug for jchem indexing to fail when the mol file starts with 'BM'?


 


DBD::Oracle::st execute failed: ORA-29875: failed in the execution of the ODCIINDEXINSERT                   routine


ORA-20101: Internal error: cannot create new instance for the osraimage importer module


ORA-06512: at "JCHEM.JCHEM_CORE_PKG", line 34


ORA-06512: at "JCHEM.JC_IDXTYPE_IM", line 781 (DBD ERROR: OCIStmtExecute) [for Statement "                  insert into testv (struct) values (?)" with ParamValues: :p1='BM


  Mrv0541 10091117272D


 


 12 13  0  0  0  0            999 V2000


    0.1909   -1.5651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0


    0.1909   -0.7401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0


etc.


Changing the start letters seems to resolve thing fine.  We're using 5.6.0.1



/usr/edex_java/bin/java -jar jchem.jar


JChem version: 5.6.0.1 (revision: 148043)

Table version: 5060000  (for determining if recalculation is necessary)



Thanks for any guidance.


Cheers,


Andrew


 

ChemAxon aa7c50abf8

10-10-2011 08:26:55

Hi Andrew,


I've moved this topic to the visualization forum, since the problem can be reproduced using the molconvert command line tool and the attached molfile as well:


C:\Users\pkovacs\chemaxon\packages\jchem-5.6.0.1\bin>molconvert mrv C:\Users\pkovacs\chemaxon\input\nci_1.sdf
<?xml version="1.0" ?>
<cml>
C:\Users\pkovacs\chemaxon\input\nci_1.sdf: error: OSRA is not available on your computer.

(My computer is running on Windows 7 Professional.)


Peter

ChemAxon 25dcd765a3

12-10-2011 15:18:57

Hi Andrew,


 


We are working on the problem.


I let you know if the fix is ready.

ChemAxon 25dcd765a3

19-10-2011 10:45:27

Hi Andrew,


We have fixed the bug. The forthcoming 5.7 release (coming out soon) will contain the fix.

ChemAxon 25dcd765a3

20-10-2011 11:44:28

Hi Andrew,


We will also create a fix release for 5.6 release in 5.6.0.4 version.

ChemAxon aa7c50abf8

26-10-2011 10:38:12

JChem 5.6.0.4 is available for download: https://www.chemaxon.com/download.php?d=/data/download/jchem/5.6.0.4/jchem-5.6.0.4.zip .


P.

User f05f6b8c05

28-10-2011 07:58:25

Thanks so much for the quick fix!