Hi Nitzan,
I'm not sure that this the 100% best solution to the problem, but you can
do something like the following:
In [10]: m = Chem.MolFromSmiles('c1c1')
In [11]: Chem.Kekulize(m)
In [16]: rxn =
Hi,
I am using rdkit to emulate fragmentation of molecules, and it is working
great.
While working with opening of aromatic rings, it seems to me that it would
be simpler to work on the molecule after it was kekulized.
My question is: how do I write a reaction on a kekulized molecule.
For
2 matches
Mail list logo