Re: [Open Babel] Compute Tanimoto coefficients from Spectrophore fingerprints?

[Bakary N't. D. <dia...@gm...>]

If you working in python this should help you.
I wrote these scripts when using obspectrophores. "get_spectrophore.py"
will get you a compound spectrophore (tested with sdf but should work with
other obabel supported format).The second one will compute their euclidean
distances.