Greg,
To make sure I am installing the correct packages, when you say pango is
needed is it enough to install libpango1.0-dev on ubuntu? Maybe you can
provide a list of dependencies to get superscript and subscript drawn
using RDKit?
1. cairo
2. pango
Can you provide the exact package names? Are they python or C++ packages?
I have already installed libpango1.0-dev and python-cairo and could not
find python-pango (just hippocanvas). Do I need gtk2+?
Thank you very much.
Don
On 06/17/2011 09:54 PM, Greg Landrum wrote:
On Wed, Jun 15, 2011 at 6:28 PM, Greg Landrum<greg.land...@gmail.com> 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
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