​​The Cambridge Crystallographic Data Centre (CCDC).
The CCDC websites use cookies. By continuing to browse the site you are agreeing to our use of cookies. For more details about cookies and how to manage them, see our  cookie policy.

Can GOLD handle metals?


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.