I've generated a set of maps for my receptor using ADT (AutoDockTools). It has resulted in the files:
- .A.map
- .C.map
- .HD.map
- .N.map
- .NA.map
- .OA.map
- .SA.map
- .d.map
- .e.map
But when I try loading the map directory into Raccoon (NOT Raccoon2) when performing a virtual screening over the receptor with a library of ligands, I see an error telling me I am missing the files:
- .F.map
- .I.map
- .Br.map
- .P.map
- .S.map
- .Cl.map
- .SA.map
These atoms do not exist in my receptor. Nor are they present in the autogrid4 gpf file. Any idea why this is happening?
Farrah Wahidah Ridzwan
Hi there,
Although those atoms may not be present on your receptor, the reason you obtained such errors probably because those atoms present in your ligands.
Therefore my suggestion is to generate those required maps as well.
Hope this helps. All the best.
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