ADL: saving the docked structure

Steve Darnell sdarnell at
Wed Jan 21 11:45:30 PST 2009


Personally, I use the python scripts for analyzing dockings (provided 
with ADT) to write a pdb file for the lowest energy conformation and the 
lowest energy conformation of the largest cluster.

Specifically, I use:

If these are not one of the conformations you are interested, you can 
also use "" and find the one you are interested 
in.  Sorry, I have not used ADT long enough to know how to do it 
interactively.  Perhaps someone else has that answer.


Steve Darnell
University of Wisconsin-Madison
Madison, WI USA

ishwar chandra wrote:
> Hi All;
> I would like to know how can we save the docked structure of protein &
> ligand after docking
> i tried to save it like this
> File-->Save-->Current Session(file format .pdb)
> so as to save it in pdb format & 2 c the structure where it has formed
> different bondings in pymol or chimera
> i am unable to open the saved structure in pymol as it shows nothing.
> Please reply soon if anyone knows. Thank you all
>  regards
> Ishwar
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