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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://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg/run.html> http://grade.globalphasing.org/cgi-bin/grade/server.cgi <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) Schara Safarian Max-Planck Institute of Biophysics Department of Molecular Membrane Biology Max von Laue Strasse 3 60438 Frankfurt/Main; Germany