ADL: Grid co-ordinates!!!

bagdevi.mishra at gmail.com bagdevi.mishra at gmail.com
Sat Apr 4 03:24:33 PDT 2009


grid provides the search space for the ligand, if you do not know where in
the receptor the ligand binds, you can provide a grid that covers the whole
receptor. it would be time consuming, but it would solve your purpose.

Regards,
Bagdevi Mishra.



On Wed, Apr 1, 2009 at 7:08 PM, raghu bhagavat <rag_vocal at yahoo.co.in>wrote:

> Hello all........
> I have a query in AD Vina version........
> the configuration file has to be given with x, y, z coordinates for
> building the grid...What if we dont know where the ligand has to
> bind.....This will arise in while doing Virtual screening......
> When we use Autodock4 version on command line, the "auto" option is done if
> the grid-centre is not specified and it runs taking the option
> "auto"..........But unlikely in Vina version..........
>
> So for mass operations (Virt. Screening), how to proceed for this problem??
>
> Kindly suggest
>
>
>
>      Add more friends to your messenger and enjoy! Go to
> http://messenger.yahoo.com/invite/
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>


More information about the autodock mailing list