AUTODOCK ERROR "RECEPTOR ATOM TYPES"

AutoGrid and AutoDock 3 and 4

AUTODOCK ERROR "RECEPTOR ATOM TYPES"

Postby pufspufs » Thu Nov 05, 2009 2:23 pm

Hi,
I am trying to do a docking. In my macromolecule I tried to save 3 water molecules and to add hydrogens later but ADT can not do that. Then I used a program to add hydrogens to this water molecules but when I run autodock there is an error that says:
ERROR:Unknown receptor type "O".
Looking in the internet I found out that it is because there are no "O" atoms in autodock4 but OA or OS and I have to add it to the paramater files but I can not find the information to fill the paramater file.
Does anybody has the same problem? Could anybody help me with this please?
Thank you in advance
Patricia
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Re: AUTODOCK ERROR "RECEPTOR ATOM TYPES"

Postby mswingle » Thu Nov 05, 2009 5:51 pm

I believe OA would be the proper atom type to use. Just use a text editor to change the atom type from O to OA in your pdbqt file.
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