Dear all, thanks a lot for your very kind feedback on the tools!
Axel On 03.07.2015 07:21, Greg Landrum wrote:
Hi Axel, I agree with the others; this is extremely cool. Thanks for sharing it! -gregOn Thursday, July 2, 2015, Axel Pahl <[email protected] <mailto:[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
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