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Remie, Look at the following webpage: http://www.ysbl.york.ac.uk/refmac/data/refmac_news.html The harmonic restraints need to go into a "keyword" file that is uploaded to the "refmac keyword field" field in the GUI. Philip On Thu, Aug 14, 2014 at 11:11 AM, Remie Fawaz-Touma <[log in to unmask]> wrote: > Thank you Dr. Murshudov for the information. But please I still need help. > > In restrained refinement, I could not find where to enter the residues I > want to restrict from moving much. I was only able to find that in rigid > body refinement, so I tried it and got a higher R factor than the initial > file (before refinement). > > Is it normal to get a higher R factor when doing rigid body refinement? if > not, any suggestion regarding what could be wrong? > > *Is there a way to restrict one chain or part of a chain from moving much > while doing restrained refinement? * > > Thank you for any input, > > Remie > > On Aug 13, 2014, at 10:48 AM, Garib Murshudov <[log in to unmask]> > wrote: > > Hi Remie, > > You can add harmonic restraints for parts you do not want to move too > much. Instructions could be found here: > > http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/refmac_keywords.html#Harmonic > > > Regards > Garib > > > On 13 Aug 2014, at 15:44, Remie Fawaz-Touma <[log in to unmask]> wrote: > > Hi everyone, > > Does anyone know of a way to refine with CCP4 - Refmac5 (restrained > refinement is what I do) fixing a part of the the ligand? > > Thank you very much for your input, > > Remie > > > Dr Garib N Murshudov > MRC-LMB > Francis Crick Avenue > Cambridge > CB2 0QH UK > Web http://www.mrc-lmb.cam.ac.uk, > http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ > > > > >