From chemistry-request%!at!%ccl.net Mon Jun 27 13:42:59 2005
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Subject: Re: CCL:3D->2D softwares?
From: Rajarshi Guha <rxg218<<at>>psu.edu>
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Date: Mon, 27 Jun 2005 12:04:57 -0400
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On Mon, 2005-06-27 at 15:56 +0800, JunJun Liu wrote:
> Dear All:
> 
> Is there a software in linux can convert 3D small organic structures
> to 2D
> sketch structures? It will be more preferable if the software has a
> function of exporting 2D structures to picutures. Thanks in advance!

The CDK (  http://almost.cubic.uni-koeln.de/cdk/ ) can do this. There is
an example program at

 http://blue.chem.psu.edu/~rajarshi/code/java/#draw2d

(Currently it only takes SDF as input)

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Rajarshi Guha <rxg218<<at>>psu.edu> <http://jijo.cjb.net>
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