Hi Garib, Any news?
Best regards, Maria Maria Håkansson, PhD, Crystallization Facility Manager Principal Scientist SARomics Biostructures AB Medicon Village SE-223 81 Lund, Sweden Mobile: +46 (0)76 8585706 Web: www.saromics.com > On 29 Jan 2018, at 19:06, Garib Murshudov <ga...@mrc-lmb.cam.ac.uk> wrote: > > Yes, it should be as simple as this. But first let me test and see what is > the problem. > > Regards > Garib > > > On 29 Jan 2018, at 17:48, Maria Håkansson <maria.hakans...@saromics.com > <mailto:maria.hakans...@saromics.com>> wrote: > >> Hi Garib, >> >> Usually I update from ccp4. >> >> But I guess if it just to replace the refmac file in the bin directory under >> ccp4-7.0 >> I think I can manage. Is it so? >> >> Best, >> Maria >> >> Maria Håkansson, PhD, Crystallization Facility Manager >> Principal Scientist >> >> SARomics Biostructures AB >> Medicon Village >> SE-223 81 Lund, Sweden >> >> Mobile: +46 (0)76 8585706 >> Web: www.saromics.com <http://www.saromics.com/> >> >> >> >> >>> On 29 Jan 2018, at 18:43, Garib Murshudov <ga...@mrc-lmb.cam.ac.uk >>> <mailto:ga...@mrc-lmb.cam.ac.uk>> wrote: >>> >>> Thank you. >>> Do you usually update from ccp4 or you can copy binary file if I send you? >>> >>> Regards >>> Garib >>> >>> >>> On 29 Jan 2018, at 17:42, Maria Håkansson <maria.hakans...@saromics.com >>> <mailto:maria.hakans...@saromics.com>> wrote: >>> >>>> Hi Garib, >>>> >>>> It says: Refmac version 5.8.0189 : 21/09/17 >>>> >>>> Best regards, >>>> Maria >>>> >>>> Maria Håkansson, PhD, Crystallization Facility Manager >>>> Principal Scientist >>>> >>>> SARomics Biostructures AB >>>> Medicon Village >>>> SE-223 81 Lund, Sweden >>>> >>>> Mobile: +46 (0)76 8585706 >>>> Web: www.saromics.com <http://www.saromics.com/> >>>> >>>> >>>> >>>> >>>>> On 29 Jan 2018, at 18:40, Garib Murshudov <ga...@mrc-lmb.cam.ac.uk >>>>> <mailto:ga...@mrc-lmb.cam.ac.uk>> wrote: >>>>> >>>>> Hi Maria, >>>>> >>>>> What is the refmac version? It should be on the top of the log file. >>>>> >>>>> Regards >>>>> Garib >>>>> >>>>> >>>>> On 29 Jan 2018, at 17:03, Maria Håkansson <maria.hakans...@saromics.com >>>>> <mailto:maria.hakans...@saromics.com>> wrote: >>>>> >>>>>> Hi, >>>>>> >>>>>> I have a question regarding the automatic restraints in Refmac5 and >>>>>> CCP4Interface 7.0.050. >>>>>> >>>>>> For a few years I have relied on automatic restraints settings in the >>>>>> CCP4I interface which >>>>>> usually resulted in r.m.s. bond deviations of about 0.02 Å and good >>>>>> convergence of refinement (lower >>>>>> R-factors). The last few months this have not been the >>>>>> case. In structure after structure in different projects we get >>>>>> consistently r.m.s. deviations of 0.03 Å and more >>>>>> and lacking or worse convergence. This is not a huge problem since you >>>>>> can get around it by using user >>>>>> set weighting terms. Still it is annoying. >>>>>> >>>>>> Anyone experiencing the same? >>>>>> >>>>>> Best regards, >>>>>> Maria >>>>>> >>>>>> >>>>>> Maria Håkansson, PhD, Crystallization Facility Manager >>>>>> Principal Scientist >>>>>> >>>>>> SARomics Biostructures AB >>>>>> Medicon Village >>>>>> SE-223 81 Lund, Sweden >>>>>> >>>>>> Mobile: +46 (0)76 8585706 >>>>>> Web: www.saromics.com <http://www.saromics.com/> >>>>>> >>>>>> >>>>>> >>>>>> >>>>> >>>>> Dr Garib N Murshudov >>>>> MRC-LMB >>>>> Francis Crick Avenue >>>>> Cambridge >>>>> CB2 0QH UK >>>>> Web http://www.mrc-lmb.cam.ac.uk <http://www.mrc-lmb.cam.ac.uk/>, >>>>> http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ >>>>> <http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/> >>>>> >>>>> >>>>> >>>> >>> >>> Dr Garib N Murshudov >>> MRC-LMB >>> Francis Crick Avenue >>> Cambridge >>> CB2 0QH UK >>> Web http://www.mrc-lmb.cam.ac.uk <http://www.mrc-lmb.cam.ac.uk/>, >>> http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ >>> <http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/> >>> >>> >>> >> > > Dr Garib N Murshudov > MRC-LMB > Francis Crick Avenue > Cambridge > CB2 0QH UK > Web http://www.mrc-lmb.cam.ac.uk <http://www.mrc-lmb.cam.ac.uk/>, > http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ > <http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/> > > >
