Hi there,
for a program i am writing, i need to perceive the atom connectivity from
the 3D cartesian coordinates alone. I have been looking into the open babel
source code and found the calculateConnectivityMatrix method. But due to my
limited c knowledge i don't know what exactly it does. So how does babel
address this issue?
Thanks.
Alex
PS:
the reference to the Chemical Graph theory book did not help because i will
only have access to the book in 1week+
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