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PostPosted: Sun Feb 07, 2010 12:14 pm 
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Joined: Sun Feb 07, 2010 11:21 am
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Hi,
I am interested in the evaluation of Xtal receptor-ligand interaction with autodock4 without any docking calculation. I found the command "epdb", but I think it is not well documented. I used it in a *.dpf file:
epdb complex.pdb
move ligand.pdbqt
----
It is not clear to me whether the pdb file should be the receptor-ligand "complex.pdb", or the receptor.pdb, or even in the pdb or pdbqt format.
What about "move" file? should I separate ligand.pdb from the complex.pdb? in which format? Any other previous calculations?
Probably I am completely wrong! Can anyone help me?

Thanks a lot
Gregorio


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