[phenixbb] FreeR flags from AutoBuild

Luca Jovine Luca.Jovine at ki.se
Thu May 12 01:01:09 PDT 2016

Hi Sam,

I’m sure the PHENIX developers will clarify this point, but in any case you could just dump the two MTZ files to text ones:

mtzdump hklin file1.mtz > file1.txt
nref -1

mtzdump hklin file2.mtz > file2.txt
nref -1

and compare whether the same reflections are flagged in both.



On 12 May 2016, at 04:59, Sam Tang <samtys0910 at GMAIL.COM<mailto:samtys0910 at gmail.com>> wrote:

Dear all

May I enquire a simple question about AutoBuild - I input an experimental data (ccp4 mtz from Aimless) and a model from Phaser-MR to AutoBuild hoping that some mis-fit flexible regions could be re-build. May I know if the output mtz overall_best_refine_data.mtz contains the same FreeR flags as in the input, or would AutoBuild generate a new set of FreeR? Or in other words, are the R values directly comparable if I refine against the input experimental data mtz or the overall_best_refine_data.mtz?



Sam Tang

Biochemistry Programme, School of Life Sciences, CUHK

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