[sharp-discuss] Fav,SigFav in a SAD exp?

Clemens Vonrhein vonrhein at globalphasing.com
Tue Dec 6 17:15:14 CET 2011


Hi Francis,

On Tue, Dec 06, 2011 at 09:09:48AM -0700, Francis E Reyes wrote:
> I'm passing the eden-unique file from a SAD experiment in SHARP into buster for refinement. 

Yes.
 
> From your description below, I should be using FP/SIGFP and HL's for refinement? 

Yes.

The default in BUSTER is to use all amplitude/sigma pairs during
refinement. In your case you might want to run with two additional flags:

  refine -p some.pdb -m eden-unique.mtz \
    autoBUSTER_hls="HLA HLB HLC HLD" \
    autoBUSTER_fss="FP,SIGFP" \
    ...

(plus your normal other flags like -autoncs etc). This will only look
at the FP/SIGFP pair and also use HLs during refinement.

Does that make sense?

Cheers

Clemens

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