The NIH Resolver will generate a gif image of the Lewis line structure of a submitted SMILES. I ignored this feature because I thought it was just another pretty little picture. Boy was I wrong!
A JavaScript construct of the following form: var tempStr = "<img width='" + sz + "' height='" + sz + "' src='http://cactus.nci.nih.gov/chemical/structure/"; + escape(jmolSmiles) + "/image' />"; sz = desired gif size jmolSmiles = an evolving model kit mode model. When rendered the above gif not only has appropriate bond wedges. The chiral carbons are conveniently labeled R or S If you want to see a quick demo of this, go to http://chemagic.com/web_molecules/script_page_large.aspx The default model will be just fine. Click The Molecular Editor Link; click the Image link, click the NIH 2D Capture link. We edit models using our own Edit screen interface rather than the Jmol native interface. Play with editing, and you'll see that Resolver gets it right. You need to click the image capture link each time. There are some problems with complex aromatics (e.g. taxol), but I'm working on this problem. Otis -- Otis Rothenberger chemagic.com ------------------------------------------------------------------------------ This SF.net Dev2Dev email is sponsored by: Show off your parallel programming skills. Enter the Intel(R) Threading Challenge 2010. http://p.sf.net/sfu/intel-thread-sfd _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
