ADL: Double bonds in pdbqt file?

dr. sakura lalehan.ozalp at gmail.com
Mon Jan 22 21:21:26 PST 2018


Hello again,

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
.pdbqt file?

Hope I'm clear now.




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