Re: [ccp4bb]: Reindex

[Bart Hazes <bart.hazes@ualberta.ca>]

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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


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Bart Hazes (Assistant Professor)
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