Hi all,
I have noticed that the MACCS Fingerprints are only available via the Python framework. Has anyone implemented a C++ version on RDKit already? If not, I would be very grateful if someone could give me a few pointers to get me started on implementing a C++ equivalent to the Chem.MACCSKeys.GenMACCSKeys Python function. This may be silly, but could I simply write a C++ wrapper around the Python function? Many thanks. _________________________________________________________________ 25GB of FREE Online Storage – Find out more http://clk.atdmt.com/UKM/go/134665320/direct/01/
