From owner-chemistry@ccl.net Tue Sep 27 10:46:48 2005
From: "CCL" <owner-chemistry-#-server.ccl.net>
To: CCL
Subject: CCL: Open source contributions by pharma.
Message-Id: <-29326-050927101647-30052-U8S5dE6NcecHXrJ3Sk0TsA-#-server.ccl.net>
X-Original-From: Steve Bowlus <chezbowlus-#-goldrush.com>
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Date: Tue, 27 Sep 2005 07:16:28 -0700
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Sent to CCL by: Steve Bowlus [chezbowlus-#-goldrush.com]

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NEWLEAD (QCPE683) by Vincenzo Tschinko, also of Novartis.
I'm sure there are other industry-source programs at QCPE (I did a 
couple of ports, but not original programming while at Novartis Agro.)
Many SPL scripts for Sybyl were developed/contributed by people in 
industry.  Perhaps not "open source" in the usual sense, but SPL lends 
itself to reuse/translation into other languages.

sb

CCL wrote:
> Hello all,
> 
>  
> 
> Does anyone know examples of free or open source scientific software 
> contributed by pharmaceutical companies?
> 
>  
> 
> I ask because I'd like to contribute to certain open source projects, 
> which my co-workers would be more comfortable with if they knew it was 
> an acceptable practice in the pharma industry.  (After all, the 
> industry's livelihood depends on protecting IP, so giving something away 
> can seem a bit strange to some, though they do understand the benefits 
> of open source.)
> 
>  
> 
> Examples I know of directly from pharma are RasMol (GlaxoWellcome), JME 
> molecular editor (Peter Ertl, Novartis; free though not open source), 
> and Ertl et al.'s polar surface area code.  Other open source examples I 
> know of > from cheminformatics companies include OELib and PyMOL.
> 
>  
> 
> Are there others?
> 
>  
> 
> Thanks!
> 
>  
> 
> Peter Spiro
> 
> Renovis, Inc.
> 
>  
> 
> 
> 
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