CCL: 3D -> 2D

From: Prashant Kumar <prashantkbio ~~ gmail.com>
Subject: CCL: 3D -> 2D
Date: Thu, 12 Feb 2009 21:53:05 +0530

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