ADL: WAT unrecognized

Francesco Pietra chiendarret at yahoo.com
Sun May 4 07:03:12 PDT 2008


I am trying (1st time) to follow "Using autodock 4 with autodocktools: a tutorial", however directly with a protein model of mine, already arranged OK for Chimera.

I was stuck in ADT immediately at the stage of selecting (Residue HOH* Atom *), getting warning
"No new selection ::HOH*:* 
Accepting OK, no water selected (0 Molecules(s) in a red background in the center of the message-bar at bottom).

Actually, the pdb loaded contains one molecule of water of crystallization (that I had deliberately left in for docking already carried out with other programs). The residue is called WAT, three line for O and the two H). Does autodock4 use a different name for water residue? I searched along manuals and archives; unable to find how non-standard residues are called in autodock4).

Thanks
francesco pietra


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