Hi Ed, may be "not always" (in a sense that mask-based one sometimes may leave a negative footprint in areas where there is no solvent), but I still want to remind this paper where there is some discussion about exponential vs mask-based bulk solvent model:
http://journals.iucr.org/d/issues/2002/09/00/fw0020/index.html Also, if you refere to "some old observations" then I believe since that the bulk solvent correction protocols have been improved very significantly: http://journals.iucr.org/d/issues/2005/07/00/gx5040/index.html and A.T. Brunger. Nature Protocols 2, 2728-2733 (2007). All the best! Pavel. On Fri, Oct 22, 2010 at 11:01 AM, Ed Pozharski <[email protected]>wrote: > Ethan pointed out to me that Babinet-principle based solvent correction > is not always inferior to mask-based approach. My belief was based on > some old observations which were in fact made prior to mask > implementation in refmac and thus not exactly side-by-side comparisons. > I hereby recant my prior statement, as I have seen the light in form of > the R/Rfree dropping 0.5% for a particular model/dataset when switching > from mask to Babinet. > > Cheers, > > Ed. > > -- > "I'd jump in myself, if I weren't so good at whistling." > Julian, King of Lemurs >
