Dear Ashok,
You have tested this successfully in the console
smiles1 =
'CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O'
smiles2 =
'N(C(NC1=O)=O)=C(C1=NC2C=C3C)N(C=2C=C3C)C[C@H]([C@@H](O)[C
@H](CO)O)O'
result = smiles2.find("SMILES", smiles1)
So that's what you need in your function. Something is getting broken in the
way.
This strategy seems to be working, moving things into Jmol script and doing
them one by one (sort of a "divide and conquer" strategy, I'd say):
function compSmiles(key, ans) {
key = key.replace(/\\/g, '\\\\');
ans = ans.replace(/\\/g, '\\\\');
Jmol.script(jmolApplet0, "smiles1 = '" + key + "'; ");
Jmol.script(jmolApplet0, "smiles2 = '" + ans + "'; ");
return Jmol.evaluateVar(jmolApplet0, "smiles1.find('SMILES',smiles2) > 0");
}
I'm not sure if I have 1 and 2 correctly or it's the other way around.
·
Dr. Angel Herráez
Biochemistry and Molecular Biology,
Dept. of Systems Biology, University of Alcalá
E-28871 Alcalá de Henares (Madrid), Spain
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