From owner-chemistry ^%at%^ ccl.net Mon Nov 28 04:27:00 2005 From: "sri ram sri.boppana(-)gmail.com" To: CCL Subject: CCL: Structures or connectivity tables toSMILES Message-Id: <-30088-051128023610-25910-rzScLnB16JK1ng4xaeSNwg!^!server.ccl.net> X-Original-From: sri ram Content-Type: multipart/alternative; boundary="----=_Part_39222_7870037.1133159552398" Date: Mon, 28 Nov 2005 12:02:32 +0530 MIME-Version: 1.0 Sent to CCL by: sri ram [sri.boppana^^gmail.com] ------=_Part_39222_7870037.1133159552398 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline May be this may gives some idea. even i am intersted in generate SMILES strings I would appreciate any help. http://openbabel.sourceforge.net/ On 11/28/05, kalpana krishnaswami kkalpana|-|vsnl.net < owner-chemistry]-[ccl.net> wrote: > > Sent to CCL by: "kalpana krishnaswami" [kkalpana ~~ vsnl.net] > I need a method to generate SMILES strings for a large number of > structures. Does anyone know a way of doing this. Either a stand alone > program that would read a text file(eg, SD file) or a class or componen= t > that we could access programatically that would work. I would appreciate > any help. > > Regards > Kalpana > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > > -- ram ------=_Part_39222_7870037.1133159552398 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline May be this may gives some idea. even i am intersted in generate SMILES str= ings
I would appreciate any help.

http://openbabel.sourceforge.= net/




On 11/28/05, kalpana krishnaswami kkalpana|-|vsnl.net <owner-chemistry]-[ccl.net> wrote: Sent to CCL by: "kalpana  krishnaswami" [kkalpana ~~ vsnl.net]
I need a method to generate SMILES strings for a large number of structures.  Does anyone know a way of doing this.  Either a stand alone program that would  read a text file(eg, SD file)  or a class or component that we could access programatically that would work.  I would appreciate any help.

Regards
Kalpana
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