> 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.
> 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.
Dear All,
After analysis of some compounds whose protonation is carried out by
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.
Does pybel use also the /data/phmod
