Re: [ccp4bb]: Reindex

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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No need to recalculate cell - REINDEX does that as part of the service..

  Eleanor



Bart Hazes wrote:
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> 
> Marian Szebenyi wrote:
> 
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>>
>> It is true that there are several possible matrices to convert C2 into
>> P1. However, I don't think the one you give is one of them, unless I am
>> misreading it. Even if the matrix you use is not the one that gives the
>> most "standardized" P1 cell, a valid matrix should give **A** valid P1
>> cell, and the resolution should not change. I suggest applying the
>> following matrix in reindex:
>>
>> 1/2 -1/2 0
>> 1/2 1/2  0
>> 0    0   1,
>>
>> i.e. h(P1) = 0.5*h(C2)-0.5*k(C2), k(P1) = 0.5*h(C2)+0.5*k(C2), l(P1) =
>> l(C2)
>>
>> Marian Szebenyi 
> 
> 
> Just remember that you also need to recalculate the new unit cell 
> dimensions!
> 
> Bart
> 
>