ADL: Vina: Wrong H-bond networks
trott at scripps.edu
Mon Jun 8 11:01:39 PDT 2009
On Sun, Jun 7, 2009 at 3:52 AM, Edelmiro Moman<edelmiro.moman at gmail.com> wrote:
> I have been trying to reproduce some crystallographic complexes with
> Autodock Vina. In terms of RMS, the results are very good.
> So that the H of the ligand is pointing towards the H of the histidine.
As Mark mentioned, http://vina.scripps.edu/manual.html#output talks about this.
> Is this a bug?
I don't think so, but if you suspect a bug, please follow
http://vina.scripps.edu/manual.html#bugs to the letter.
Oleg Trott, Ph.D. (Columbia University)
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