[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ccp4bb]: free R flag problem (from CNS to CCP4)
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
GUAN wrote:
>
> *** For details on how to be removed from this list visit the ***
> *** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
>
> Dear All:
> I use CNS to refine my structure to R=17.1% and Rf=18.9%. Now
> I want to change to REFMAC5, in order to refine the non-proline
> cis-peptide bond as well as the anisotropic B factors because I
> refine with a 1.4A data set.
> Now a problem: How to keep my free R flag when I use refmac5?
> I want to use the same reflections as test set used in CNS.
>
> Thanks.
> Rong-Jin Guan
Look at the GUI reflection utility task, or use one of the example
f2mtz scripts.
Eleanor
--
------------------------------------------------------------------
Eleanor J.Dodson, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 44 49, work: +44 (1904) 43 25 65
------------------------------------------------------------------