[IPython-dev] Notebook + WebGL = Molecule Drawer?

Patrick Fuller patrickfuller@gmail....
Mon Mar 18 19:20:14 CDT 2013


Hi everyone,

I was at Pycon yesterday and saw a really cool IPython notebook + HTML5
talk by Matt Davis. Motivated by the talk, I was curious to see if I could
get WebGL running via three.js, so I went ahead and wrote an interactive
molecule viewer.

[image: Inline image 1]

FYI, it's a lazy first-pass port of another molecule viewer I
wrote<http://www.patrick-fuller.com/molecule-viewer-alpha/>,
which is itself a lazy first pass at learning webGL... which leads me to
some questions :-)

   -

   I'm confident that I'm misusing the Javascript and HTML objects. The
   Javascript docstring talks about a generated element object, but I
   couldn't get jQuery to bind to it. My current selector is "div.molecule",
   which runs into some fairly obvious problems when you draw more than one
   molecule.
    -

   I have no idea what the javascript variable scopes look like. Am I in
   danger of overwriting something important to IPython?

Also, is there any general interest out there in exploring ipython notebook
+ webgl further? Are there other projects that do so?

Thanks for hearing me out (and working on such a cool open-source project!),
Pat
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