On Wed, Jun 15, 2011 at 5:52 PM, Donald Keidel <donald.kei...@gmail.com> wrote: > > Thank you for the explanation. I guess my main concern now is how to depict > this. When I try to depict it in 2D, the isotope (e.g. 13) is not depicted > to the upper left of C. Is the RDKit drawing functionality able to depict > isotopes in the drawings?
Nope. Truly supporting this - with the 13 displayed at the upper left - would be quite difficult with the current drawing code, which doesn't use superscripts or subscripts at all. So, for example, a terminal -NH2 is drawn with the 2 at the same height (and the same size) as the other characters. I could certainly add this level of functionality for isotopes to the current drawing code, so a terminal C13 would be rendered: -13CH3. I realize this is ugly, but fixing it is more than a small amount of work and will probably need to wait for a complete rewrite of the drawing code (on my list, but without any particular target date). -greg ------------------------------------------------------------------------------ EditLive Enterprise is the world's most technically advanced content authoring tool. Experience the power of Track Changes, Inline Image Editing and ensure content is compliant with Accessibility Checking. http://p.sf.net/sfu/ephox-dev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
