pkovacs wrote: |
FYI, this example doesn't demonstrate that JChem Cartridge is installed in the KIET schema. Typically, the JChem Catridge installer (or your DBA) will create public synonyms for the JChem Cartridge operators and packages. As a result whereever in the Oracle instance you call JC_COMPARE it will be resolved (to the operator pointed to by the public synonym), even if you don't prefix the operator with the containing schema.
Please, could post the output of the following command executed as KIET:
select jchem_core_pkg.getenvironment from dual;
?
Thanks
Peter
|
Oracle environment:
Oracle Database 11g Release 11.2.0.3.0 - 64bit Production
PL/SQL Release 11.2.0.3.0 - Production
CORE 11.2.0.3.0 Production
TNS for Linux: Version 11.2.0.3.0 - Production
NLSRTL Version 11.2.0.3.0 - Production
JChem owner: KIET
JChem Server environment:
Java VM vendor: Oracle Corporation
Java version: 1.7.0_19
Java VM version: 23.7-b01
JChem version: 5.12.3
JChem Index version: 5120000
JDBC driver version: 11.1.0.7.0-Production
Yah sorry that was my stupidity talking :D, I was supposed to copy setpassword command , but it's installed on KIET and I already did try that command ;-) ,I've droped the index then created it again and the error is no longer there, but I want to try it on my structure table and doesn't give me the results I want, for example:
This is one structure exported using Jchem manager:
Mrv0541 05211312252D
18 19 0 0 0 0 999 V2000
3.5954 -4.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5942 -5.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3138 -5.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3120 -3.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0281 -4.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0246 -5.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8128 -5.3218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2954 -4.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8092 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0656 -3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8706 -3.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1248 -2.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9297 -2.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1840 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 -3.8302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1579 -4.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4874 -2.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1210 -4.6643 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
8 9 2 0 0 0 0
9 5 1 0 0 0 0
4 1 1 0 0 0 0
9 10 1 0 0 0 0
5 6 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
2 3 1 0 0 0 0
12 13 1 0 0 0 0
3 6 2 0 0 0 0
13 14 1 0 0 0 0
1 2 2 0 0 0 0
1 15 1 0 0 0 0
5 4 2 0 0 0 0
15 16 1 0 0 0 0
6 7 1 0 0 0 0
13 17 2 0 0 0 0
7 8 1 0 0 0 0
8 18 1 0 0 0 0
M END
> <CD_ID>
1
> <CD_STRUCT_ID>
AB-1
> <CD_SMILES>
COC1=CC=C2NC(I)=C(CCNC(C)=O)C2=C1 |c:17,t:2,4,8|
> <CD_FORMULA>
C13H15IN2O2
> <CD_SORTABLE_FORMULA>
C00013H00015I00001N00002O00002
> <CD_MOLWEIGHT>
358.1749
> <CD_HASH>
2137063866
> <CD_TIMESTAMP>
2013-05-15 10:07:04.0
> <CD_PRE_CALCULATED>
0
> <CD_FP1>
-2049129400
> <CD_FP2>
-1975910142
> <CD_FP3>
-314273640
> <CD_FP4>
-804510868
> <CD_FP5>
143918090
> <CD_FP6>
-2136889152
> <CD_FP7>
436881942
> <CD_FP8>
23610498
> <CD_FP9>
127078662
> <CD_FP10>
-190717804
> <CD_FP11>
-603440896
> <CD_FP12>
271842010
> <CD_FP13>
152171312
> <CD_FP14>
553089
> <CD_FP15>
149802000
> <CD_FP16>
-1892572016
When I run this query, I get 0 rows (I'm supposed to get 1 row) :
SELECT cd_id FROM kiet.sub_structure WHERE jc_compare(cd_structure, 'COC1=CC=C2NC(I)=C(CCNC(C)=O)C2=C1 |c:17,t:2,4,8|','t:s') = 1;