Hi Gianmarco,
it is not for aromatic bonds that you need to increase by 2, it is for
double bonds (or triple bonds) - there is no chance that an atom in a ring
can ever be terminal, as its degree is at least 2.
In your molecule you have two carbonyl groups. In those the oxygen is
doubly bonded to
Hi Paolo,
This is exactly what I have tried to do but unsuccessfully because I was
just increasing the number of explicit Hs by
nbr.SetNumExplicitHs(nbr.GetNumExplicitHs()
+ 1).
In fact, my logic was to increase the number of Hs by 1 for each atom
removed and I am still puzzled on why that should
Hi Gianmarco,
this issue has been discussed before.
Removing bonds with RWMol.RemoveBond() will not adjust the implicit H count
of the atom at the two ends of the bond.
While this is not important for the atom that is going to be removed, the
count on the atom that stays needs to be adjusted. In
Hi all,
I am writing a function that removes atoms with only one bond and can be
applied recursively in order to find the scaffold of a molecule. The
function works in most cases but I have observed that, when aromatic rings
are involved, it produces a loss of information. This is an example:
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