Knowledge Base

Article ID: 1679 - Last Modified: May 4, 2012

Why does my Glide or Impact job fail with an error that an atom has "too many bonds"?

Glide and Impact currently have a limit of 6 bonds for a given atom. This includes zero-order bonds. If you see an error like this:

rdmmct(): Atom 50864 has too many bonds (7; max is 6).
%IMPACT-W (warning): At line 9
%IMPACT-W: Build Primary: Too many atoms or bonds for structure in: "myfile.maegz"
%IMPACT-E (die): At line 9
%IMPACT-E: CREATE: struc has too many atoms, bonds, or bonds per atom.

it very likely indicates that you have a metal atom with too many zero-order bonds. The solution is to delete bonds until there are no more than six.

Unfortunately, the atom number cited in this message refers to the internal numbering scheme in the backend, which may not correspond to the atom numbers visible in Maestro. One way to search for metals in a structure is to use the Find toolbar (which cyou can display with Edit → Find or Ctrl+F) to look for metals by "Residue type"; if there are multiple metals, use "N" (Next) to cycle through them until the problematic atom is found.

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