On Mon, Apr 15, 2019 at 10:41 AM Andrew Dalke <da...@dalkescientific.com> wrote:
> On Apr 8, 2019, at 19:59, Amber Alley <ara...@georgetown.edu> wrote: > > > > Does openbabel have the capability to produce fingerprints that are > binary only? > > Yes. The MACCS, FP2, FP3, and FP4 fingerprints are fixed-length binary > fingerprints. > > Open Babel also implements ECFP fingerprints, which are not binary > fingerprints. > Is it described somewhere what the output of, for example, "obabel -ismi -ofpt -xfECFP4 -xh" actually represents? Cheers, Jeff
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