ADL: is there a EPDB command in AutoDock4, which is similar as EPDB in AutoDock3?

Sargis Dallakyan sargis at scripps.edu
Fri Mar 14 11:26:55 PDT 2008


xiaoqin huang wrote:
> hi, dockers,
> can anyone tell me how to do a single-point calculation for a minimized complex. to evaluate whether the minimized complex is better or not.
> this request looks like the function of EPDB in AutoDock3. I donot know to do a similar calculation in AutoDock4.
> thanks!

Hi Xiaoqin,

I recently came across epdb options under ADT->Docking->Other
Options...->AutoDock4 Parameters. There is also
.../AutoDockTools/Utilities24/compute_AutoDock41_score.py script that is using
PyAutoDock. Note, I have not used either of them yet.

Sargis



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