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

[Patrick Fuller]

Hi guys,

I think that my little demo is more about the potential of webGL + IPython
than about the molecule drawer itself. If a bigger project like XTK can be
ported easily, it could open up a lot of doors for IPython tools.

Anyway, I'll look through the xtk + ipython examples soon and throw this
molecule drawer idea into a new repo. If webgl + ipython picks up, it'll be
around.

Cheers,
Pat


On Mon, Mar 18, 2013 at 10:14 PM, Rich Stoner <stonerri at gmail.com> wrote:

> Patrick,
>
> I have working examples of Ipython + XTK (https://github.com/xtk/X). It's
> not the cleanest implementation but I'll throw it on Github later
> tonight/tomorrow.
>
> Best -
>
> Rich
>
>
>
> On Mon, Mar 18, 2013 at 6:40 PM, Brian Granger <ellisonbg at gmail.com>wrote:
>
>> Patrick,
>>
>> 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.
>>
>> Cheers,
>>
>> Brian
>>
>>
>> On Mon, Mar 18, 2013 at 5:20 PM, Patrick Fuller <patrickfuller at 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
>>>
>>> _______________________________________________
>>> IPython-dev mailing list
>>> IPython-dev at scipy.org
>>> http://mail.scipy.org/mailman/listinfo/ipython-dev
>>>
>>>
>>
>>
>> --
>> Brian E. Granger
>> Cal Poly State University, San Luis Obispo
>> bgranger at calpoly.edu and ellisonbg at gmail.com
>>
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>>
>
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