Dear Eleanor,
there appears to be a bug. See the sourcecode of sftools near line 11700:
do l=1,ndatasets
if (xname(l)(1:lenstr(xname(l))).eq.tmp_xname .and.
$ dname(l)(1:lenstr(xname(l))).eq.tmp_dname) then
dwavel(l) = tmp_dwave
endif
enddo
where it should most likely be
$ dname(l)(1:lenstr(dname(l))).eq.tmp_dname) then
i.e. lenstr(xname(l)) should be lenstr(dname(l)).
I hope some CCP4 developer picks this up.
Best wishes,
Kay
On Tue, 5 Apr 2022 14:47:09 +0100, Eleanor Dodson <[email protected]>
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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