Substitution count(*) does not work

User 4140faeba5

21-07-2005 06:41:36

Hi.


SQL> select jchem_core_pkg.getenvironment() from dual;





JCHEM_CORE_PKG.GETENVIRONMENT()


--------------------------------------------------------------------------------


Oracle9i Enterprise Edition Release 9.2.0.6.0 - Production


PL/SQL Release 9.2.0.6.0 - Production


CORE 9.2.0.6.0 Production


TNS for Solaris: Version 9.2.0.6.0 - Production


NLSRTL Version 9.2.0.6.0 - Production


NLSRTL Version 9.2.0.6.0 - Production


JChem version in the database: 3.0.13


JChem version in the Tomcat server: 3.0.13


java.vm.version: 1.4.2_08-b03


java.vm.vendor: Sun Microsystems Inc.


Apache Tomcat/4.1.31





JCHEM_CORE_PKG.GETENVIRONMENT()


--------------------------------------------------------------------------------





Attached are two molecules, q.txt and hit.txt





The query molecule are marked on some atoms with s(*), this means that


the number of substitutions allowed are as drawn.





This does not work regardless if I use molfile,smarts or cxsmarts.





What do I need to set to get this to work ?





/Mikael

ChemAxon 9c0afc9aaf

21-07-2005 09:14:04

Hi,





The "substitution count" and "ring bond count" query features has just been implemented in our search code and they will be available from JChem 3.1.





This version is expected to come out in a month or two.





Best regards,





Szilard