From owner-chemistry@ccl.net Fri Jun 14 08:06:01 2013 From: "darren.rhodes darren.rhodes]-[gmail.com" To: CCL Subject: CCL: SMILES to SMARTs Message-Id: <-48825-130614035509-25059-4w0Q+rra+WxPo/I4+YKq2g++server.ccl.net> X-Original-From: "darren.rhodes" Content-Type: multipart/alternative; boundary=14dae9c09b5278e8aa04df1890fb Date: Fri, 14 Jun 2013 08:55:02 +0100 MIME-Version: 1.0 Sent to CCL by: "darren.rhodes" [darren.rhodes|gmail.com] --14dae9c09b5278e8aa04df1890fb Content-Type: text/plain; charset=ISO-8859-1 I haven't used it for the specified purpose but try babel/open babel http://openbabel.org/wiki/Category:Formats Darren On 14 June 2013 07:16, zhoujinming zhou_jim###hotmail.com < owner-chemistry{:}ccl.net> wrote: > Hi Everyone > > Does anybody know the software or program (free one should be better) to > convert the SMILEs format to SMARTS format. Please give some advice, Many > thanks in advance. > > -- -- > Jinming > > -- "I have no doubt that if a party creates and sends an electronically created document then he will be treated as having signed it to the same extent that he would in law be treated as having signed a hard copy of the same document. The fact that the document is created electronically as opposed to as a hard copy can make no difference." Pelling J in Mehta v J Pereira Fernandes SA [2006] EWHC 813 (Ch) Key ID:- 0xB76FE0B9 http://pgpkeys.mit.edu:11371/ --14dae9c09b5278e8aa04df1890fb Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
I haven't used it for the specified purpose but t= ry

babel/open babel

http://openbabel.org/wiki/Category:Formats

Darren


On 14 June 2013 07:16, zhoujinming zhou_jim###hotmail.com <owner-chemistry{:}ccl.net> wrote:<= br>
Hi Everyone
=A0
Does anybody know the software = or program (free one should be better) to convert the SMILEs format to SMAR= TS format. Please give some advice, Many thanks in advance.
=A0
-- --=
Jinming




--
"I have no doubt t= hat if a party creates and sends an electronically created document then he= will be treated as having signed it to the same extent that he would in la= w be treated as having signed a hard copy of the same document. The fact th= at the document is created electronically as opposed to as a hard copy can = make no difference." =A0Pelling J in Mehta v J Pereira Fernandes SA [2= 006] EWHC 813 (Ch)

Key ID:- 0xB76FE0B9 http://pgpkeys.mit.edu:11371/
--14dae9c09b5278e8aa04df1890fb--