From chemistry-request- at -ccl.net Mon Jun 27 13:35:40 2005
Received: from server.ccl.net (ccl [127.0.0.1])
	by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5RHZZIr022854
	for <chemistry..at..ccl.net>; Mon, 27 Jun 2005 13:35:35 -0400
Received: (from apache[ AT ]localhost)
	by server.ccl.net (8.13.1/8.13.1/Submit) id j5RHZZM7022853
	for chemistry..at..ccl.net; Mon, 27 Jun 2005 13:35:35 -0400
Date: Mon, 27 Jun 2005 13:35:35 -0400
Message-Id: <200506271735.j5RHZZM7022853..at..server.ccl.net>
X-Authentication-Warning: server.ccl.net: apache set sender to chemistry-request..at..ccl.net using -f
From: "Rajarshi, , Guha" <rxg218..at..psu.edu>
To: chemistry..at..ccl.net
X-Web-Message-Number: 050627133459-22794
Subject: W:Re: CCL:3D->2D softwares?
X-Spam-Status: No, score=-2.3 required=5.0 tests=ALL_TRUSTED,
	FROM_ENDS_IN_NUMS autolearn=failed version=3.0.4
X-Spam-Checker-Version: SpamAssassin 3.0.4 (2005-06-05) on server.ccl.net

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)

-------------------------------------------------------------------
Rajarshi Guha <rxg218..at..psu.edu> <http://jijo.cjb.net>
GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE
-------------------------------------------------------------------
If you don't get a good night kiss, you get Kafka dreams."
-Hobbes