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On Fri, Jan 27, 2006 at 10:23:48AM -0500, Yang-Chieh Chou wrote:
>
> Thanks for the script.
> I've searching on the web and have tried diff. approaches, which are
> kinda fun actually.
> Now I'm just about to start trying out yours but wonder what I should
> do afterward. Does your script write another cv file from my original
> cv? How should I use the modified cv to creat a CCP4 compatible mtz
> file?
Sorry - I directed you to the wrong script - try the fixit.py file on
that same page.
And yes, it will output a different file that f2mtz shouldn't have any
trouble with - if you need the format info for f2mtz, its something
like:
format '(F10.0,3F11.0,11X,2F11.0)'
labout H K L FP SIGFP FreeR
ctypout H H H F Q I
but it will depend on whats in the .cv file to begin with.
> Second, I'd love to compare these different methods but wonder if
> there's a way to validate if the free-r flags are well-conserved and
> transferred? Is there any way that I can look at the files and see if
> they've picked up the same reflection data as free-r flags?
>
I just check a few randomly selected reflections from each file, but
you could probably use dataman to do more robust tests.
Hope it helps,
Tim
--
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Tim Fenn
[EMAIL PROTECTED]
Stanford University, School of Medicine
James H. Clark Center
318 Campus Drive, Room E300
Stanford, CA 94305-5432
Phone: (650) 736-1714
FAX: (650) 736-1961
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