Or
mtzutils hklin1 a.mtz hklout b.mtz <<eof
SYMM P43212
eof
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,
>
> Graeme
>
> On 30 September 2010 10:49, Tim Gruene <[log in to unmask]> wrote:
>> 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 scala), or is there
>> another program to choose (I would normally use xprep, but I'd like to show the
>> students the 'ccp4i-way').
>>
>> Thanks a lot, Tim
>>
>> --
>> --
>> Tim Gruene
>> Institut fuer anorganische Chemie
>> Tammannstr. 4
>> D-37077 Goettingen
>>
>> phone: +49 (0)551 39 22149
>>
>> GPG Key ID = A46BEE1A
>>
>>
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>>
>>
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