Dear rdkit community, I am looking to start from a mol object (loaded from an .xyz file) and return all possible fragments (as mol objects) generated from breaking one bond (any bond order). I don't want any pre-encoded rules about which bonds to break as in BRICS. I saw some discussions on the forum about using EditableMol or other mol types. Would you be able to point me to the best way to do this?
Thanks very much. -- Puck van Gerwen Doktorandin Gruppe von Anatole von Lilienfeld Universität Basel
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