I have found I usually need to run an mtz through "CAD" in order to
sanitize it after doing things in sftools and other programs that . CAD
is kind of my "make it a cannonical mtz again" program.
HTH
-James Holton
MAD Scientist
On 4/5/2022 6:47 AM, Eleanor Dodson wrote:
Does ANYONE know how to use this useful but ultra-frustrating program??
I have an mtz file which lacks WAVElength AND Dataset name.
I try to follow the sftools documentation, and get an output file which -
lacks WAVElength AND Dataset name.
Grrrr
sftools <<eof
READ "detwin_job1-IMEANa.mtz" mtz
SET DWAVE 1.2 WAVElength AND Dataset name.
write "detwin_job1-IMEANab.mtz" mtz
EXIT
YES
eof
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