ADL: Double bonds in pdbqt file?
lalehan.ozalp at gmail.com
Mon Jan 22 21:21:26 PST 2018
What I mean is, according to what you wrote here:
[If two carbons are aromatic (either C-C or C=C depending on the resonance
structure), they would be typed "A" instead of "C", and the bond would not
be rotatable.] ... so we can understand whether a C atom is aromatic or
not, right? and the nomenclature for this purpose is A or C.
So, I'm asking, if the C (or N) atom is NOT aromatic, but still not in a
rotatable bond? Is there a way to understand this by only looking at the
Hope I'm clear now.
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