Another possibility is with sftools, set spacegroup option
Fred.
PS not in ccp4i
Graeme Winter wrote:
Hi Tim,
Is it as easy as
reindex hklin a.mtz hklout b.mtz << eof
symm P43212
eof
This will simply (and correctly) reassign the symmetry operations. Is
this what you meant?
Best wishes,
Gr
Thanks for everyone who replied (and so quickly)
The space group can be changed with
PROG hklin in.mtz hklout out.mtz << eof
symm P43212
eof
where PROG is 'reindex' (Graeme Winter), 'mtzutils' (Eleanor Dodson), 'cad'
(Phil Evans, Manfred Weiss), or 'sortmtz' (Manfred Weiss), all of which are also
Or
mtzutils hklin1 a.mtz hklout b.mtz <
Hi Tim,
Is it as easy as
reindex hklin a.mtz hklout b.mtz << eof
symm P43212
eof
This will simply (and correctly) reassign the symmetry operations. Is
this what you meant?
Best wishes,
Graeme
On 30 September 2010 10:49, Tim Gruene wrote:
Hello,
we a
Hi Tim,
Is it as easy as
reindex hklin a.mtz hklout b.mtz << eof
symm P43212
eof
This will simply (and correctly) reassign the symmetry operations. Is
this what you meant?
Best wishes,
Graeme
On 30 September 2010 10:49, Tim Gruene wrote:
> Hello,
>
> we are currently preparing a tutorial for
Hello,
we are currently preparing a tutorial for a practical from lysozyme data.
pointless picked the spacegroup P41212 and phaser should show the students that
P43212 is the correct spacegroup. How do I best change the scala-mtz-file to
that spacegroup? Can I tell pointless (and eventually rerun
