From owner-chemistry@ccl.net Thu Oct 12 09:39:00 2006 From: "Volford Andras avolford===chemaxon.com" To: CCL Subject: CCL:G: SMILE to 2D structure Message-Id: <-32774-061011184847-24701-8BGWz6bLCrYazSdRpU+21A(-)server.ccl.net> X-Original-From: Volford Andras Content-Type: multipart/alternative; boundary="------------030108020106090301050402" Date: Wed, 11 Oct 2006 23:48:12 +0200 MIME-Version: 1.0 Sent to CCL by: Volford Andras [avolford^_^chemaxon.com] This is a multi-part message in MIME format. --------------030108020106090301050402 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit Hi, You can convert your SMILES string to various formats (like molfile, xyz, Gaussian cube) using MolConverter. The MolConverter application (http://www.chemaxon.com/marvin/doc/user/molconvert.html) is available in the Marvin Beans package that can be dowloaded at the Marvin site http://www.chemaxon.com/marvin/ This software tools are free for academic users and non-commercial web sites. Follow this link if you would like to subscribe for the free usage or need more details: http://www.chemaxon.com/licensing.html MarvinSketch, MarvinView, MarvinSpace and MolConverter applications are also free if they are not used as integral parts of other applications. All the best Andras > Subject: CCL: SMILE to 2D structure > Date: Wed, 11 Oct 2006 04:43:42 -0400 > From: Nehru Viji Shankaran chat2viji#,#gmail.com > > Reply-To: CCL Subscribers > To: Vargyas, Miklos > > > > Sent to CCL by: "Nehru Viji Shankaran" [chat2viji^-^gmail.com] > Dear all, > > I want a program which would convert the SMILE strings (simple)into > 2D structure probably a connection table,z-matrix. > If possible kindly provide me with the source code for it. > > Thanks in advance, > > Nehru viji Shankaran. > > nehruviji|yahoo.co.in > chat2viji|gmail.com.> > > > > --------------030108020106090301050402 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Hi,

You can convert your SMILES string to various formats (like molfile, xyz, Gaussian cube) using MolConverter. The MolConverter application (http://www.chemaxon.com/marvin/doc/user/molconvert.html) is available in the Marvin Beans package that can be dowloaded at the Marvin site http://www.chemaxon.com/marvin/
This software tools are free for academic users and non-commercial web sites. Follow this link if you would like to subscribe for the free usage or need more details: http://www.chemaxon.com/licensing.html

MarvinSketch, MarvinView, MarvinSpace and MolConverter applications are also free if they are not used as integral parts of other applications.

All the best
Andras

Subject:	CCL: SMILE to 2D structure
Date:	Wed, 11 Oct 2006 04:43:42 -0400
From:	Nehru Viji Shankaran chat2viji#,#gmail.com <owner-chemistry/a\ccl.net>
Reply-To:	CCL Subscribers <chemistry/a\ccl.net>
To:	Vargyas, Miklos <miklos.vargyas/a\chemaxon.hu>

Sent to CCL by: "Nehru Viji Shankaran" [chat2viji^-^gmail.com]
Dear all,

       I want a program which would convert the SMILE strings (simple)into 
       2D structure probably a connection table,z-matrix.
       If possible kindly provide me with the source code for it.
   
Thanks in advance,

Nehru viji Shankaran.

nehruviji|yahoo.co.in
chat2viji|gmail.com.E-mail to subscribers: CHEMISTRY/a\ccl.net or use:
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