Axel, this is seriously cool!
Many thanks!
George
On 2 July 2015 at 13:31, Axel Pahl <[email protected]> wrote:
> Dear fellow RDKitters,
>
> the RDKit community is always so helpful that I wanted share back two
> functions that I use in the IPython Notebook from which I thought that they
> could be of use to others, as well.
>
> - show_table:
> Display a list of molecules in a table with molecule properties as
> columns.
> When an ID property is given, the table becomes interactive and compounds
> can be selected.
> I know that this can be also done with PandasTools but that might be
> overkill in some situations. Also the table from Pandas is not interactive
> to my knowledge.
>
> - jsme:
> Display Peter Ertl's Javascript Melecule Editor to enter a molecule
> directly in the IPython notebook (how cool is that??)
>
> If you are interested, please have a look at the GitHub
> <https://github.com/apahl/rdkit_ipynb_tools> repo and the example
> <http://nbviewer.ipython.org/github/apahl/rdkit_ipynb_tools/blob/master/rdkit_ipynb_tools.ipynb>
> notebook.
>
> Kind regards,
> Axel
>
>
> ------------------------------------------------------------------------------
> Don't Limit Your Business. Reach for the Cloud.
> GigeNET's Cloud Solutions provide you with the tools and support that
> you need to offload your IT needs and focus on growing your business.
> Configured For All Businesses. Start Your Cloud Today.
> https://www.gigenetcloud.com/
> _______________________________________________
> Rdkit-discuss mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
>
>
------------------------------------------------------------------------------
Don't Limit Your Business. Reach for the Cloud.
GigeNET's Cloud Solutions provide you with the tools and support that
you need to offload your IT needs and focus on growing your business.
Configured For All Businesses. Start Your Cloud Today.
https://www.gigenetcloud.com/
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
