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Article ID: 745 - Last Modified: June 6, 2011

I get the following message when running Glide:

%IMPACT-W (warning): At line 63
%IMPACT-W: Ligand lacks atoms to satisfy receptor constraints.
SKIP LIG 23631 (ligand_23631): INVALID ATOM(S), ETC

What does it mean, and what can I do about it?

This particular ligand is being skipped because it has no atoms that can satisfy the constraints. That is, whatever ligand feature you've defined for this constraint isn't matching this particular ligand.

This is fairly normal when applying constraints. Depending on the diversity of your ligands, it's not unusual for some of them to fail to satisfy the constraints. However, if all of your ligands are being rejected with this same message, that would be unusual, and it could indicate a poorly-constructed ligand feature. In this case you should check the ligand feature you defined for the constraints.

Keywords: ligand skipped, warning, constraint, Glide

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