I tried both codes (given below). But, did not work. Should I have to
include any javascript or jar files related to SMILES?
Currently, I use <script type="text/javascript"
src="JSmol/JSmol.min.js"></script>.
function compareSmiles(key, ans) {
var v = " 'KEY'.find('SMILES','ANS')>0"
.replace(/ANS/,ans)
.replace(/KEY/,key)
.replace(/\\/g,"\\\\")
return Jmol.evaluateVar(jmolApplet0, v);
}
compareSmiles('CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O',
'N(C(NC1=O)=O)=C(C1=NC2C=C3C)N(C=2C=C3C)C[C@H]([C@@H](O)[C@H](CO)O)O');
function compSmiles(key, ans) {
key = key.replace(/\\/g, '\\\\');
ans = ans.replace(/\\/g, '\\\\');
return Jmol.evaluateVar(jmolApplet0, "'" + key + "'.find('SMILES','" +
ans + "') > 0");
}
compSmiles('CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O',
'N(C(NC1=O)=O)=C(C1=NC2C=C3C)N(C=2C=C3C)C[C@H]([C@@H](O)[C@H](CO)O)O');
--
*T. Ashok Kumar*
Head, Department of Bioinformatics
Noorul Islam College of Arts and Science
Kumaracoil, Thuckalay - 629 180
Kanyakumari District, INDIA
Mobile:- 00 91 9655307178
*E-Mail:* *ashok.bioinformat...@gmail.com <ashok.bioinformat...@gmail.com>*,
*as...@biogem.org <as...@biogem.org>*
*Website:* *www.biogem.org <http://www.biogem.org>*
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