Hi,
I wonder if there is any way to list atoms an atom is bonded to? I would like
to list H bonded pairs but the available scritps (list_hbonds.py, or
polarpairs.py) only check for distance and angle between heteroatoms, but not
if any of them is actually connected to a hydrogen. As a result two carbonyl
atoms are listed too.
Thanks in advance,
Krisztina
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