There are a set of restraints available in the ccp4 area: $CLIBD/monomers/d/DHE.cif I attach them Eleanor
On 22 May 2015 at 10:33, Schara Safarian <scsaf...@biophys.mpg.de> wrote: > 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) > > > > > > Schara Safarian > Max-Planck Institute of Biophysics > Department of Molecular Membrane Biology > Max von Laue Strasse 3 > 60438 Frankfurt/Main; Germany > > > >
DHE.cif
Description: application/vnd.multiad.creator.cif
