[Openchemistry-developers] Fwd: Open chemistry json

Marcus D. Hanwell marcus.hanwell at kitware.com
Wed Nov 20 15:50:28 EST 2013


Hi Rafael,

On Tue, Nov 19, 2013 at 9:56 AM, Rafael Pedrola Gimeno
<rafinskipg at gmail.com> wrote:
> My name is Rafael Pedrola, i 'm a web developer and yesterday i was having
> some fun with a json of the periodic table,
> you can see a demo here:
> http://monchacos.com/experiments/periodic-elements/#/
>
> I was thinking about adding more functionality, like adding something funny
> with molecules...
>
If you take a look at http://wiki.openchemistry.org/MongoChem_Schema
you can see the current layout we are using in MongoDB, with
http://wiki.openchemistry.org/Chemical_JSON documenting the molecule
layout.
>
> Do you know if there's some api or mongodb database containing info about
> molecules??
>
The demo at http://data.openchemistry.org/ shows some visualization of
the data, with integration of ParaViewWeb and other pieces. This uses
a simple RESTful API and JSON that you can probably figure out from
the JavaScript on the site.

> I just need some json to start developing great visual things,
>
Hopefully the above provides some help, please let me know if you need
more information. We are hoping to document the APIs a little better,
and I will put out a new snapshot of the database soon. There are of
course many more properties that could be added to the JSON.

Marcus



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