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

Patrick Fuller patrickfuller@gmail....
Tue Mar 19 14:17:34 CDT 2013


Thanks, guys!

I wrapped my js example in some Python and made a repo:
https://github.com/patrickfuller/imolecule. I'll read through the examples
posted and see if I can clean up my approach. Going off of the browser
screenshot alone, I like the idea of generating a single static div to
display the output of js execution.


On Tue, Mar 19, 2013 at 11:56 AM, Brian Granger <ellisonbg@gmail.com> wrote:

> Here is the most up to date IPython repo with XTK stuff:
>
> https://github.com/ellisonbg/ipython/tree/xtk
>
>
> On Tue, Mar 19, 2013 at 11:52 AM, Rich Stoner <stonerri@gmail.com> wrote:
>
>> 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
>>>>>>
>>>>>> _______________________________________________
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>>>>>> 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
>>>>>
>>>>> _______________________________________________
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>>>>>
>>>>>
>>>>
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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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