On Wed, Jun 15, 2011 at 6:28 PM, Greg Landrum <[email protected]> wrote: > > 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).
It turns out that I was overly pessimistic about how much work would be required to add support for superscripts and subscripts to the current RDKit drawing code. Over the past couple of days I've checked in some changes that enable the use of superscripts and subscripts for both the aggdraw and cairo canvases. To get sub/superscripts with cairo, you also need to have pango installed; if pango isn't present, the drawings will be done the same as before. An example from the cairo canvas is attached. Proper drawing of atoms with non-standard isotopes will come as soon as I've fixed the isotope handling. -greg
<<attachment: testmol.png>>
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