From owner-chemistry@ccl.net Thu Feb 12 11:28:00 2009
From: "Prashant Kumar prashantkbio++gmail.com" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: 3D -> 2D
Message-Id: <-38601-090212112319-22296-8ioe+jfcGJnTQQtXcplU3w**server.ccl.net>
X-Original-From: Prashant Kumar <prashantkbio ~~ gmail.com>
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Date: Thu, 12 Feb 2009 21:53:05 +0530
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Sent to CCL by: Prashant Kumar [prashantkbio]![gmail.com]
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Hi,
     MolConverter can output both 2D structure files and 2D images in
various formats and can do many other things. Please follow this link
http://www.chemaxon.com/marvin/doc/user/molconvert.html for more details.
MolConverter is in Java so you can run it on all Java enabled platforms.
Academically free.

Example, for creating a 2D SDF:
 bash$ molconvert sdf *-2* input.sdf -o output.sdf

Example, for creating a 2D PNG image:
 bash$ molconvert png:w100 *-2* input.mol -o output.png

.



On Thu, Feb 12, 2009 at 2:01 AM, Anuradha Mittal anuradha.mittal[-]gmail.com
<owner-chemistry(0)ccl.net> wrote:

> Hi All,
>
> Is there any tool that I can use to convert a multi-mol2 of small ligands
> to 2D?
>
> Thanks
> Anu
>
>
>


-- 
Prashant Kumar
Centre For Computational Biology and Bioinformatics
School of Information Technology
Jawaharlal Nehru University , New Delhi
Cell +91-9212136815

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Hi,<br>&nbsp;&nbsp;&nbsp;&nbsp; <font color=3D"#000000">MolConverter can ou=
tput both 2D structure files and 2D images in
 various formats and can do many other things. Please follow this link <a r=
el=3D"nofollow" class=3D"moz-txt-link-freetext" href=3D"http://www.chemaxon=
.com/marvin/doc/user/molconvert.html" target=3D"_blank">http://www.chemaxon=
.com/marvin/doc/user/molconvert.html</a>
 for more details.
 <br>
 MolConverter is in Java so you can run it on all Java enabled
 platforms. Academically free. <br>
=20
=20
 <br>
 Example, for creating a 2D SDF:
 <br>&nbsp;bash$
 molconvert sdf <b>-2</b> input.sdf -o output.sdf
 <br>
 <br>
 Example, for creating a 2D PNG image:<br>&nbsp;bash$
 molconvert png:w100 <b>-2</b> input.mol -o output.png
 <br>
 <br>. <br>
 </font><br>&nbsp;&nbsp;&nbsp; <br><br><div class=3D"gmail_quote">On Thu, F=
eb 12, 2009 at 2:01 AM, Anuradha Mittal anuradha.mittal[-]<a href=3D"http:/=
/gmail.com">gmail.com</a> <span dir=3D"ltr">&lt;<a href=3D"mailto:owner-che=
mistry(0)ccl.net">owner-chemistry(0)ccl.net</a>&gt;</span> wrote:<br>
<blockquote class=3D"gmail_quote" style=3D"border-left: 1px solid rgb(204, =
204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi All,<br><br>Is=
 there any tool that I can use to convert a multi-mol2 of small ligands to =
2D?<br>
<br>Thanks<br>Anu<br><br><br>
</blockquote></div><br><br clear=3D"all"><br>-- <br>Prashant Kumar<br>Centr=
e For Computational Biology and Bioinformatics<br>School of Information Tec=
hnology<br>Jawaharlal Nehru University , New Delhi<br>Cell +91-9212136815<b=
r>


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