As someone who uses those "superfluous" columns all the time, I would
like to chime in in favor of keeping the default output columns of
refmac. If only I had a nickle for every time someone asked me to "look
at" a structure and only gave me the output files of refinement. Kind
of ties your hands.
I have always been a fan of erring on the side of providing information
in output files. How hard is it to delete something? How hard is it to
get it back after you deleted it?
My two cents,
-James Holton
MAD Scientist
On 7/31/2017 8:57 AM, Edwin Pozharski wrote:
I know space is cheap these days, but is there a reason for Refmac to
generate all those extra columns in the output mtz file? Refmac (as
well as phenix.refine and buster-tnt) output mtz file is almost always
used for only one purpose - look at the map in coot. You only need 4
columns for that, not 14. Other columns are useful for testing, but
why not make them optional?
This would certainly be a low priority - one can easily delete extra
columns using, say, sftools.
Cheers,
Ed.
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Hurry up, before we all come to our senses!
Julien, King of Lemurs
