Re: [ccp4bb]: What is the CCP4 (refmac5) equivalent of an omit map?

[Ethan Merritt <merritt@u.washington.edu>]

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On Friday 25 January 2002 15:28, Brent Segelke wrote:
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> Perhaps solvent correction explains the difference between SHELX full aniso
> and REFMAC TLS?

I thought both refmac and shelx use a Babinet correction.
Am I wrong on that point?  
A quick look at the refmac5 man page leaves me uncertain exactly what 
the details of the solvent correction are.


>From my comparison runs -


shelx output (*.res) file:
	SWAT    1.045257    2.7040        (Note: U = 2.7  ->  B = 213)

refmax5 output:
	Babinet"s bulk solvent: scale =   0.289, B  = 200.000



-- 
Ethan A Merritt       merritt@u.washington.edu
Biomolecular Structure Center Box 357742
University of Washington, Seattle, WA 98195
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