ADL: Autodock Utilities

Marcus Fischer mf536 at york.ac.uk
Tue May 27 02:42:15 PDT 2008


Dear Magnus,

AutoDock4 doesn't seem to have the get-docked script that is presented in the tutorials for the former versions. Try to use the following shell script in the command line:

grep '^DOCKED' my_docking.dlg | cut -c9- > my_docking.pdbqt
cut -c-66 my_docking.pdbqt > my_docking.pdb

that should have the same effect if you just replace "my_docking" by your filename.

Best wishes,
Marcus



Magnus Matz wrote:
> Hi everybody,
>
> i'm workin with AutoDock4 for 3 Weeks now and read lots of HowTo's and 
> Instructions, mainly about Autodock3. As i read, i can convert my *.dlg 
> to *.pdb with the awk script "dockedtopdb" or using the command 
> "get-docked" from Autodock Utilities. The Problem is, i can't find any 
> utilities on http://autodock.scripps.edu/ and in my installation folder, 
> nor ADT or AutoDock4. Can anybody help me to find/get these? What is the 
> common way to convert my *.dlg to *.pdb or any other datefile?
>
> Thanks for your help,
> Magnus
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