pubchem sdf import problem

User b91dd8facf

10-12-2005 10:01:33

When I try to import the pubchem sdf files (e.g. Compound_00000001_00010000.sdf) with JChem (version 3.1.3; java 1.4.2_08-b03) into an oracle table (version 10g 64bit operon) an error is created at molecule 268. Cutting 267, 268 and 269 out as seperate sdf files and importing these as single compounds does not create problems...


Error message is:


Error in molecule 268


java.sql.SQLException: invalid column index


...





lutz

ChemAxon 9c0afc9aaf

10-12-2005 11:56:42

Dear Lutz,





We have located and fixed the problem.


Subsequent JChem releases will import these files fine.





Until then you can download a modified version of 3.1.3 from the following location:


http://www.chemaxon.com/shared/jchem3_1_3_mod2/jchem.jar








Best regards,





Szilard

User b91dd8facf

10-12-2005 12:14:01

Szilard wrote:
Dear Lutz,





We have located and fixed the problem.


Subsequent JChem releases will import these files fine.





Until then you can download a modified version of 3.1.3 from the following location:


http://www.chemaxon.com/shared/jchem3_1_3_mod2/jchem.jar








Best regards,





Szilard
Dear Szilard, it works now! I am deeply impressed how fast you solved the problem - and this on a saturday!!!! thanks very much


lutz