ADL: regarding active site

Bagdevi bagdevi.mishra at gmail.com
Wed Jun 17 21:53:15 PDT 2009


kaustubh,

I tried generating map files used the gpf you had attached with the
mail.  And it did not work. Thus I generated a new gpf using the
3DM2.pdbqt and lig.pdbqt you had send. The resulted gpf I used to make
map files and it further run autodock4.

And all worked well, the lig.pdbqt got docked inside the grid where
the original ligand of the complex lied.

I am attaching this gpf. You run autogrid4 using this.
Make dpf using the ligand and receptor you had send. And see the results.

If it worked well, we can understand there is some error, while you
are making the gpf file.

Regards,
Bagdevi Mishra.



On Wed, Jun 17, 2009 at 12:52 PM, Oleg Trott <trott at scripps.edu> wrote:
>
> On Tue, Jun 16, 2009 at 10:22 PM, Davide
> Mercadante<dmer018 at aucklanduni.ac.nz> wrote:
> > can I just go through
> > the installation of autodock-vina without removing autodock4?
>
> Yes
>
> --
> Oleg Trott, Ph.D. (Columbia University)
>
> http://olegtrott.com
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
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