ADL: regarding conformation and clustering.

snoze pa snoze.pa at gmail.com
Wed Jan 23 11:39:49 PST 2008


 You can check the ligand.dlg file after the CLUSTER line to check the top
ranked docked structures.

On Jan 23, 2008 10:38 AM, Deepthi Rajagopalan <deepthi.86 at gmail.com> wrote:

> I performed autodock and got the results. I was seeing the conformations.
> i
> was able to see ten conformations. i did clustering on this and obtained
> two
> clusters with all the conformations
>
> i tried doing reclustering, when I tried this, i got eight clusters
> covering
> only eight conformations. two conformations were not represented in the
> cluster. why is this happening??
>
> On Jan 23, 2008 6:48 PM, manvendra pratap singh <manav_phd2007 at yahoo.com>
> wrote:
>
> > actually i m not understanding ur problem
> > can u explain the same simply.
> > if i will understand i m sure that i will answer it ..
> >  bye
> >
> >
> > ----- Original Message ----
> > From: Deepthi Rajagopalan <deepthi.86 at gmail.com>
> > To: autodock at scripps.edu
> > Sent: Wednesday, 23 January, 2008 4:06:45 PM
> > Subject: ADL: regarding conformation and clustering.
> >
> > Hi!
> > I am at the moment going through autodock tutorial to really understand
> > what
> > it is doing. I performed docking for the tutorial files  and I have
> > obtained
> > the results. when I was looking at the conformations, i got ten
> > conformations and i tried clustering them and i obtained two clusters
> with
> > four in one cluster and 6 in other cluster. Then, i tried reclustering
> > them,
> > this time I obtained eight clusters with one conformation each leading
> to
> > missing two conformations.why is this happening? I have no clue!!
> >
> > --
> > Regards,
> > Deepthi
> > ________________________________________________
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>
>
>
> --
> Regards,
> Deepthi
> ________________________________________________
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>


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