Reply To: Docking an iron atom to a peptide

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January 26, 2011 at 8:53 pm #4865
Anonymous

    I would guess you can try just replacing the zinc atom in the pdb with an iron atom. Be very careful with the spacing, atom name ” FE ” is not the same as “FE ” or ” FE”. The params file for the iron atom will tell you what the spacing ought to look like.

    I forwarded your other question along to someone who knows something about fragments generation, (because I sure don’t.)