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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 > <[log in to unmask] <mailto:[log in to unmask]>> > 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