Hi Ansgar,
This is still using the MolVS tautomer-handling code since we didn't finish
the canonicalization part during last year's Google Summer of Code.[1]
That means it's not using the parameter file that you found. The rules that
are used are here:
Hi Greg
Thanks for your quick answer. What I am doing is essentially the following:
from rdkit.Chem import MolStandardize
my_standardizer = MolStandardize.standardize.Standardizer()
standard_tautomer = my_standardizer.tautomer_parent(input_mol)
I assume that at the stage I construct
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