Hi, I'd like to access the list of bits set in an ECFP4 fp (at least their indexes).
In other words, I'd like to access the list of bits which are set in the very long bitstring corresponding to an ECFP4 fp. I would prefer to do this before this very long bitstring is folded into a shorter one. I'm OK to use the C++ interface of open babel, or the Python one. Thanks a lot, F. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
