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

Brian Granger ellisonbg@gmail....
Mon Mar 18 20:40:18 CDT 2013


Hi, this is really exciting to see people doing things like this.  This
Fall we will be working on our APIs for this stuff - we are hoping to make
it easier - please keep in touch as things move forward.



On Mon, Mar 18, 2013 at 5:20 PM, Patrick Fuller <patrickfuller@gmail.com>wrote:

> 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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Brian E. Granger
Cal Poly State University, San Luis Obispo
bgranger@calpoly.edu and ellisonbg@gmail.com
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