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 inputrefine-bref bonlyThis works and does the full anisotropic only refinementrefine-bref aniso bonlyThis also works ( I was just guessing before I saw your previoud email) but It probably is equivalent to the one above.refine-bref anisoonlyThanks for your helpHariOn 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.RegardsGaribOn 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 workrefi -type REST -resi MLKF -meth CGMAT -bref anisoonlyncyc 5As far as Bill Scotts question does coot not pick up refmac5 and libcheck from $CCP4_BIN ?ThanksHariOn 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:Hi Garib:
> You may need to use the latest available version (5.8) from our LMB site
Would it be possible to add a link for the source code, so this could also be used with Coot?
Thanks.
Bill
Group Leader, MRC Laboratory of Molecular BiologyDr Garib N MurshudovFrancis Crick AvenueCambridge Biomedical CampusCambridge