On Tue, Jun 6, 2017 at 1:43 PM, Popov, Maxim (Ext) <maxim.po...@novartis.com
> wrote:
>
>
> I have discovered a very usefule tool in Knime, Molecule Fragmenter by
> RDKit, but can’t find a corresponding class or function outside of Knime.
> Can I use the Fragmenter without Knime?
>
>
>
Yep:
http://www.rdkit.org/docs/GettingStartedInPython.html#molecular-fragments
There's also:
http://www.rdkit.org/docs/GettingStartedInPython.html#brics-implementation
and
http://www.rdkit.org/docs/GettingStartedInPython.html#recap-implementation
which use different strategies.
-greg
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