IPython is an enhanced Python shell that does magic and is wonderful. Apart from me, everyone else uses it. You can install it with "easy_install IPython" on Windows, Linux, etc. Recent versions have a graphical console (start with "ipython-qtconsole") to which we can add some molecular eye candy. Greg Landrum has already
done this for RDKit. Here's how to do it for Pybel.
First of all, here's the
before picture:
Now, copy and paste the following into the console:
pybel.Molecule._repr_png_ = lambda x: x.write("png")
And here's how it looks
after:
Greg has gone a bit further with RDKit, and has enhanced substructure matches, but that's where I'll draw the line for now.
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