Dear Clemens,
Thanks!
It sounds like a good test to do on the output .mtz and see if there are
any significant changes in maps after these "filled in" coefficients are
removed.
Ivan
With best regards,
Ivan Shabalin, Ph.D.
Research Scientist,
Department of Molecular Physiology and Biological Physics,
University of Virginia,
1340 Jefferson Park Avenue, Pinn Hall,Room 4223,
Charlottesville, VA 22908
https://www.linkedin.com/in/shabalinig/
https://minorlab.org/person/ivan_s/
On 8/6/19 08:59, Clemens Vonrhein wrote:
Dear Ivan,
On Mon, Aug 05, 2019 at 05:44:56PM -0400, Ivan Shabalin wrote:
Dear Kay,
Thanks a lot for your answers!
To my best understanding, REFMAC does not have an option of for restoring
reflections only in certain resolution shells.
Remember that you can always do some simple (but powerfull) operations
within SFTOOLS (*). So using something like
read refmac.mtz
CALC col resol = 0.5 stol /
select col FP = absent
absent col FWT if col resol < 3.0
absent col PHWT if col resol < 3.0
delete col resol
select all
write refmac_new.mtz
might/should do the trick: setting all filled-in FWT/PHWT values to a
MNF (missing-number-flag) for reflections with resolution higher than
3A. So you should only have filled-in 2mFo-DFc valeus for the low-res
data (3A and lower).
But check those commands above (typed from memory)
Cheers
Clemens
(*) there is very little one can't do with SFTOOLS
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