ADL: Vina: Wrong H-bond networks

Oleg Trott 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:
> Hi,
>
> I have been trying to reproduce some crystallographic complexes with
> Autodock Vina. In terms of RMS, the results are very good.

I'm glad.

> 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

-- 
Oleg Trott, Ph.D. (Columbia University)

http://olegtrott.com


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