Hi Vance,
What you need can be done in two different ways. Either you generate images
with CDK as in the links supplied by Joos, or you use the ChemDoodle javascript
library.
Both are implemented in the SMARTCyp software, which also includes highlighting
of atoms, so check the output from that and see if it's similar to what you had
in mind.
www.farma.ku.dk/smartcyp<http://www.farma.ku.dk/smartcyp>
The source code is also available for download on that site, so you can see how
it's done with CDK.
If you want to use the ChemDoodle library there are also some examples of how
to do that on my blog, with a specific post on getting CDK molecules into a
javascript canvas.
Simply P450s<http://simply-p450s.blogspot.com/>
Good luck,
Patrik
--------------------------------------------------------------------------
Patrik Rydberg, Associate Professor, Ph.D.
Biostructural Research Group
Department of Molecular Drug Research
Faculty of Health and Medical Sciences
University of Copenhagen
DK-2100 Copenhagen
http://www.farma.ku.dk/index.php/Patrik-Rydberg/5304/0/
From: Vance - [mailto:[email protected]]
Sent: 27. marts 2012 20:35
To: [email protected]
Subject: Re: [Cdk-user] Rendering an image of a chemical, and highlighting
elements
Oops, I should've mentioned that I need to do this within a Web application.
On Sat, Mar 24, 2012 at 4:44 AM, Joos Kiener
<[email protected]<mailto:[email protected]>> wrote:
Hi Vance,
for rendering see:
Overview:
http://sourceforge.net/apps/mediawiki/cdk/index.php?title=Renderer_Tutorial
Specific example:
http://sourceforge.net/apps/mediawiki/cdk/index.php?title=Renderer_Tutorial-Single_Molecules
Highlighting is also possible but can't find a n example right now.
have a look at
http://rguha.net/code/java/
Best Regards,
Joos
Am 23.03.2012 22:01, schrieb Vance -:
Is it possible to render an image of a chemical, as well as to highlight or
mark certain elements within the image?
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