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Hey Everyone,

I am having trouble generating a adequate cif restraint file for a heme d ligand.
I have tried to do a couple of things now, but either the restraint file is simply wrong (Phenix suite) or the output is generating a restraint file without a complexed Fe atom (CCP4).

Additionally I have used these online servers so far, yet without any success:


http://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg/run.html

http://grade.globalphasing.org/cgi-bin/grade/server.cgi


I would really appreciate if someone could offer me a solution to this problem. Attached you can find the heme d file I use for generating the restraints (pdb)