You can take a look at code used in the rcdk package to display molecules. Some example code is in there as well.
https://github.com/rajarshi/cdkr/tree/master/rcdkjar/src/org/guha/rcdk/view On Fri, Mar 30, 2012 at 12:57 PM, Vance - <[email protected]> wrote: > 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 >> >> >> >> 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? >> >> >> ------------------------------------------------------------------------------ >> >> This SF email is sponsosred by: >> >> Try Windows Azure free for 90 days Click Here >> >> http://p.sf.net/sfu/sfd2d-msazure >> >> >> >> _______________________________________________ >> >> Cdk-user mailing list >> >> [email protected] >> >> https://lists.sourceforge.net/lists/listinfo/cdk-user >> >> >> >> >> >> ------------------------------------------------------------------------------ >> This SF email is sponsosred by: >> Try Windows Azure free for 90 days Click Here >> http://p.sf.net/sfu/sfd2d-msazure >> _______________________________________________ >> Cdk-user mailing list >> [email protected] >> https://lists.sourceforge.net/lists/listinfo/cdk-user >> >> >> >> >> >> >> ------------------------------------------------------------------------------ >> This SF email is sponsosred by: >> Try Windows Azure free for 90 days Click Here >> http://p.sf.net/sfu/sfd2d-msazure >> _______________________________________________ >> Cdk-user mailing list >> [email protected] >> https://lists.sourceforge.net/lists/listinfo/cdk-user >> > > > ------------------------------------------------------------------------------ > This SF email is sponsosred by: > Try Windows Azure free for 90 days Click Here > http://p.sf.net/sfu/sfd2d-msazure > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > -- Rajarshi Guha | http://blog.rguha.net NIH Center for Advancing Translational Science ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
