Dear Rdkiters,
I sometimes get smarts from mol in atomic number notation such as:
[#6]-[#7+]1=[#6]2-[#6]3:[#7]:[#6]:[#6]:[#6]:[#6]:3-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3-[#7]-2-[#6]-[#6]-1
Is there a way to force the method Chem.MolToSmarts(mol) to output a smarts
using alphabetic letters instead of atomic numbers?
The reason I am asking is because I need to remove dummy atoms [*] from
smarts using string manipulation and I would rather use only one method.
Unless I can do that from the mol object?
Many thanks,
Alexis
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