Can GOLD handle metals?

Modified on Wed, 31 Jul, 2024 at 2:24 PM

Yes. GOLD can automatically handle the following metals: Mg, Zn, Mn, Fe, Ca, Co, Gd, Cu, Hg, Cd, Ni and V. The metal ion must be coordinated to at least two protein atoms or water molecules in the original file so that GOLD can predict the coordination geometry. When the protein input file is prepared, the metal ion should not have any bonds to coordinating atoms. If these are present in the original PDB file, they must be deleted. Further information can be found in the GOLD documentation.

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