Thanks to everyone who responded. Is there a way to create an image from a
SMILES representation of a given chemical?
On Tue, Mar 27, 2012 at 2:44 PM, Patrik Rydberg <[email protected]> wrote:
> 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****
>
> 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]> 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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