Axel, This is excellent. I may actually be able to get other people to use my work now I can use a nice interface!
Best, Nick Nicholas C. Firth | PhD Student | Cancer Therapeutics The Institute of Cancer Research | 15 Cotswold Road | Belmont | Sutton | Surrey | SM2 5NG T 020 8722 4033 | E [email protected] | W www.icr.ac.uk | Twitter @ICRnews ________________________________________ From: Axel Pahl [[email protected]] Sent: 02 July 2015 13:31 To: RDKit Discuss Subject: [Rdkit-discuss] RDKit Tools for the IPython Notebook 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 The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP. This e-mail message is confidential and for use by the addressee only. If the message is received by anyone other than the addressee, please return the message to the sender by replying to it and then delete the message from your computer and network. ------------------------------------------------------------------------------ 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
