Pavel,
Thanks for pointing that out.
Based on one dataset, it seems to me that using this kind of maps
"no-fill" as an additional guide can help tracing some side-chains.
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 12:17, Pavel Afonine wrote:
For the record, phenix.refine always produces two versions of 2mFo-DFc
maps, with and without filling in missing Fobs. The one that opens in
Coot by default is the "filled" map, but you can always load the other
one for comparisons.
Pavel
On Tue, Aug 6, 2019 at 8:34 AM Ivan Shabalin
<iva...@iwonka.med.virginia.edu <mailto:iva...@iwonka.med.virginia.edu>>
wrote:
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
>
----
########################################################################
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
------------------------------------------------------------------------
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
----
########################################################################
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
