User 8139ea8dbd
31-03-2009 16:20:41
How do I force molconvert to interpret the input as the word "on" using name-to-structure conversion, instead of interpreting it as smiles? Thanks
select jc_molconvert('on', 'smiles:a') from dual;
ChemAxon aa7c50abf8
01-04-2009 17:33:50
It is currently not possible. In the next JChem version (5.2.1), I have included a molconvert function in the jcf package with an extra parameter (the second one) to coerce the input format:
Code: |
SQL> select jcf.molconvert('bromobenzene', 'name', 'smiles:a') from dual;
JCF.MOLCONVERT('BROMOBENZENE','NAME','SMILES:A')
--------------------------------------------------------------------------------
Brc1ccccc1 |
As "on" is not a IUPAC name, trying to interpret it as one will give an error:
Code: |
SQL> select jcf.molconvert('on', 'name', 'smiles:a') from dual;
select jcf.molconvert('on', 'name', 'smiles:a') from dual
*
ERROR at line 1:
ORA-29532: Java call terminated by uncaught Java exception:
java.rmi.ServerException: RemoteException occurred in server thread; nested
exception is:
java.rmi.RemoteException:
ORA-06512: at "PKOVACS_52BRANCH.JCHEM_CORE_PKG", line 282
ORA-06512: at "PKOVACS_52BRANCH.JCF", line 426
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