[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: REFMAC/PROTIN & NCS
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
Joao Alexandre R. G. Barbosa 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,
> In PROTIN, one can use NONX to especify NCS restraints, while in REFMAC, there
> is the NCSR option. I have refined a structure following the example 6, step 2
> in the EXAMPLES section of the REFMAC manual. The example only uses NONX in
> PROTIN. Is this sufficient for REFMAC to undertake a NCS restrained
> refinement, or do I need to use the NCSR option in REFMAC?
THe NCSR key word in Refmac is only to reset the relative weighting for
"tight" "medium" and "loose" restaints for both coordinates and b
I have forgotten the defaults but "loose" is very loose indeed and if
need be you can make it even looser.
The idea would be perhaps to have those residues in a seperate "span"
so that yuou can preserve medium side chain restraints where