[Blaster-fans] Help on understanding the docking result
jir322 at gmail.com
Fri Feb 12 15:40:20 PST 2016
At the bottom of the page it says
Docking complete - you are eligible to dock another database!
Which is admittedly not the most clear message.
What you do is, where it says
DOCK you click it to dock the fragments (default selection).
Then you wait. Ideally, you'll have results in a day or two.
We don't just want to dock 1.6 million compounds before you've looked
at the preliminary docking to check that it looks ok.
On Tue, Feb 9, 2016 at 8:35 PM, Jagannath Mondal
<jmondal.backup at gmail.com> wrote:
> Dear Blaster users
> I am getting initiated to dock-blaster . Towards this end, I have started
> via using a tutorial suggested by dock blaster : "dock to human thyroid
> hormone beta-1" ( 1N46)
> The dock blaster seemed to complete all the steps ( preparer,
> scrutinizer,target prep,calibration, docking).
> The link to my result is :
> However, I am a bit confused by the way the results are presented by dock
> blaster. The result browser is providing the link to download the 'results'
> and 'all other files' after the docking is complete.
> However, I had the preconceived idea about the dock-blaster that it will
> screen the ZINC database and will provide a list of docked molecules. But,
> The downloaded files of the results do not have any such list. The
> downloaded results folder has two subfolders called 'grid' and 'sph' but I
> am not sure how I should interpret and locate the screened database that is
> recommended by dock-blasters as potential docking agents.
> Any help in interpreting the results will be highly appreciated.
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> Blaster-fans at docking.org
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