I want to implement the following algorithm using RDkit
- given an atom
- break the bonds between this atom and its neighbor(s)
- create new mol types/variables from the neighboring fragments
example: R1-C-R2
- given atom C
- return two mol types/variables R1 and R2 (not C)
How can I achieve this? I tried rdmolops.FragmentOnBonds() but this creates the
all fragments in the same mol variable.
Kind regards,
-Ling
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