CCL:G: SMILE to 2D structure



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
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