Anisotropy B refinement

Ethan A Merritt merritt at u.washington.edu
Thu Feb 26 16:34:25 EST 1998


In article <34F5C1E8.41C6 at indigo19.carb.nist.gov>,
hongmin Li <hmli at INDIGO19.CARB.NIST.GOV> wrote:
>
>I am currently refining a structrue and want to use anisotropy B
>refinement and bulk solvent correction. And, I am new to this. Now I
>have some questions:
>
>1. I know the anisotropy B refinement will apply to Fobs. 
>
>3. Can I use the Fobs generated by anisotropy B refinement to further
>Bulk solvent correction?
>

I recommend that you apply both the anisotropic B correction and the
bulk solvent correction to Fcalc rather than to Fobs. Scripts for 
doing this can be found on my web page:
  URL http://www.bmsc.washington.edu/people/merritt/xplor/EAM_xplor_hints.html
  
			Ethan A Merritt
			merritt at u.washington.edu



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