RDKit Discussion Group,
Suppose I have a molecule
smiles1 = 'CCCC'
The carbon atoms will be assigned indices 0, 1, 2, and 3.
Suppose I want to specifically change carbon 3 to a hydrogen.
Is this possible using RDkit?
I am aware of using SMARTS to match a pattern and then change
that group of atoms. In my example, I would like to be able to
change an atom or group of atoms based on the atom indices, not
a SMARTS pattern which might be problematic for molecules with
local symmetry.
Regards,
Jim Metz
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