Re: [ccp4bb] Heme D restraints

2015-05-22 Thread Eleanor Dodson
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 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 thing

[ccp4bb] Heme D restraints

2015-05-22 Thread Schara Safarian
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 u