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

Rich Stoner stonerri@gmail....
Tue Mar 19 13:52:23 CDT 2013


Patrick et. al,

Here is the xtk-ipython repo:
https://github.com/richstoner/xtk-ipython-examples

I think that, as part of the plans to eliminate arbitrary js execution at
the notebook interface, building out wrappers around the larger js
frameworks makes a lot of sense. This is the approach taken here:
https://github.com/fperez/xtk-ipython


Best -

Rich




On Tue, Mar 19, 2013 at 9:08 AM, Patrick Fuller <patrickfuller@gmail.com>wrote:

> 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@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@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@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@scipy.org
>>>> http://mail.scipy.org/mailman/listinfo/ipython-dev
>>>>
>>>>
>>>
>>>
>>> --
>>> Brian E. Granger
>>> Cal Poly State University, San Luis Obispo
>>> bgranger@calpoly.edu and ellisonbg@gmail.com
>>>
>>> _______________________________________________
>>> IPython-dev mailing list
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>>> http://mail.scipy.org/mailman/listinfo/ipython-dev
>>>
>>>
>>
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