User 1b64124363
19-04-2012 09:23:16
When i am running this command in jcsearch
c:\program files\chemaxon\jchem\bin\jcsearch -jcsearch -q "Nc2ccccc12" -f smiles "C:\Document and Settings\admin\mcd.sdf"
i am getting this error
Error in Nc2ccccc12 at molecule 1.
Unmatched ring closure number 1 in SMILES string Nc2ccccc12
User 1b64124363
19-04-2012 12:04:09
I am using this command to get the output . This command is working f9 in command line, but when i am running this cmd on php , it is not showing any output....
<?php
exec ('C:\Program Files\Chemaxon\Jchem\bin\jcsearch -q "c1ccccc1" -f
smiles "c:\Documents and Settings\admin\Desktop\mcd.sdf" ');
?>
plz reply
ChemAxon fa971619eb
19-04-2012 12:07:30
I have moved this to the JChem forum as this is releated to strucutre search, not Instant JChem.
It should be answered soon.
Tim
ChemAxon abe887c64e
19-04-2012 12:50:24
This error message means that the smiles of the query structure is
not correct, the numbers (1 and/or 2) should be present two times to
sign both ends of the ring closure(s).
For example Nc2ccccc2, Nc1ccccc1 or NC12CC1CC2 were correct smiles.
Best regards,
Krisztina