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Article ID: 734 - Last Modified: December 4, 2010

What does this message indicate?

%IMPACT-W: SKIPPING LIGAND: no metals in active site, structure generated by Epik requires metal binding.
SKIP LIG 773 (ASN 04109160): INVALID ATOM(S), ETC.

If you generate metal-binding states with Epik/LigPrep, some states will be produced that have significant penalties unless bound to a metal. These states are marked with a "Metal Only" property. Since such states won't yield realistic docked poses unless a metal is present, Glide skips them if there is no metal in the grid box. The rest of the states, which are generated at physiological pH, are docked normally.

Keywords: skipping ligand, Glide, metal

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