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/
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