Hi Garib, Thanks for your help. I read the document at this location<http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/refmac_keywords.html> .
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 <ga...@mrc-lmb.cam.ac.uk>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 <wgsc...@ucsc.edu>wrote: > >> On Sep 4, 2013, at 2:57 PM, Garib N Murshudov <ga...@mrc-lmb.cam.ac.uk> >> 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: ga...@mrc-lmb.cam.ac.uk > Web http://www.mrc-lmb.cam.ac.uk, > http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ > > > > > > > > > > >
