[Open Babel] MACCS Fingerprints in pybel

Hello all, According to Noel O'Boyle useful "guiding lights", here is a special procedure to use MACCS fingerprint method in python pybel links. Indeed, MACCS is only available in OpenBabel 2.2.3 command line method... --- import pybel pybel.fps.append("MACCS") pybel._fingerprinters = pybel.

Re: [Open Babel] protonation and structure normalization

> openbabel command line, it would seem that the results are different > from those obtained with the AddHydrogens() method embedded in the pybel > library, with the correctforpH option. >Well yes, if you're comparing AddHydrogens() with and without correctForPH, then the results are >different.