[Blaster-fans] Help on understanding the docking result

Jagannath Mondal jmondal.backup at gmail.com
Tue Feb 9 20:35:53 PST 2016


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 :
http://blaster.docking.org/cgi-bin/jobwatch.pl?job_id=93685&pin=

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.

Thanks
Jagannath
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