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Hi Hari Only keyword you need (Assuming that you have aniso in your pdb) refinement brefinement only Did you try the version (5.8 version) from our MRC-LMB wbesite. In older version refinement brefinement only would do isotropic refinement only. I think I have changed and to make sure that it works for mixed and aniso also. If 5.8 version does not do what you want please let me kno. regards Garib On 5 Sep 2013, at 17:06, hari jayaram wrote: > Hi Garib, > > Thanks for your help. I read the document at this location. > > Without "mixed" keyword the default iso "B"'s kick in, so this statement below did not work. I took in a pdb with ANISO B's and ran a B-factor refinement and outputs a PDB without ANISOU records for every atom > > # DId not work when I had anisou records for all atoms in input > refine- > bref bonly > > > This works and does the full anisotropic only refinement > refine- > bref aniso bonly > > > This also works ( I was just guessing before I saw your previoud email) but It probably is equivalent to the one above. > refine- > bref anisoonly > > Thanks for your help > Hari > > > > > > > > On Thu, Sep 5, 2013 at 11:24 AM, Garib N Murshudov <[log in to unmask]> wrote: > You do not need anisoonly. You need bref only. If input pdb has aniso card then refmac will assume that mixed refinement should be done. If you want to add aniso for some of the atoms then you can use instructions like: > > brefine mixed aniso residue 100 A atoms FE S C* > > > Please have a look documentation from the our LMB site for further details. > > Regards > Garib > > > On 5 Sep 2013, at 15:50, hari jayaram wrote: > >> Thanks Garib for the new version. >> >> For only an anisotropic B refinement ..what are the keywords. The one below seems to work >> refi - >> type REST - >> resi MLKF - >> meth CGMAT - >> bref anisoonly >> ncyc 5 >> >> As far as Bill Scotts question does coot not pick up refmac5 and libcheck from $CCP4_BIN ? >> >> Thanks >> Hari >> >> >> >> On Thu, Sep 5, 2013 at 10:15 AM, William G. Scott <[log in to unmask]> wrote: >> On Sep 4, 2013, at 2:57 PM, Garib N Murshudov <[log in to unmask]> wrote: >> >> > You may need to use the latest available version (5.8) from our LMB site >> >> Hi Garib: >> >> Would it be possible to add a link for the source code, so this could also be used with Coot? >> >> Thanks. >> >> Bill >> > > Dr Garib N Murshudov > Group Leader, MRC Laboratory of Molecular Biology > Francis Crick Avenue > Cambridge Biomedical Campus > Cambridge > CB2 0QH UK > Email: [log in to unmask] > Web http://www.mrc-lmb.cam.ac.uk, > http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ > > > > > > > > > > > Dr Garib N Murshudov Group Leader, MRC Laboratory of Molecular Biology Francis Crick Avenue Cambridge Biomedical Campus Cambridge CB2 0QH UK Email: [log in to unmask] Web http://www.mrc-lmb.cam.ac.uk, http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/