Hi Thomas, The docs explain how to both get the molecule fragments and generate images: https://www.rdkit.org/docs/GettingStartedInPython.html#explaining-bits-from-morgan-fingerprints
Best, -greg On Sat, Apr 13, 2019 at 7:22 PM Thomas Evangelidis <teva...@gmail.com> wrote: > Dear RDKitters, > > Is there a way to fragment a molecule by a given radius, as done by the > ECFP (aka circular, Morgan) fingerprint function > AllChem.GetMorganFingerprintAsBitVect(mol, radius=radius, nBits=nBits). I > want to visualize the fragments that ECFP fingerprint generates for a set > of molecules. > > Thanks in advance. > Thomas > > > -- > > ====================================================================== > > Dr Thomas Evangelidis > > Research Scientist > > IOCB - Institute of Organic Chemistry and Biochemistry of the Czech > Academy of Sciences <https://www.uochb.cz/web/structure/31.html?lang=en> > Prague, Czech Republic > & > CEITEC - Central European Institute of Technology <https://www.ceitec.eu/> > Brno, Czech Republic > > email: teva...@gmail.com > > website: https://sites.google.com/site/thomasevangelidishomepage/ > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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