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Re: [ccp4bb]: Reindex
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Miha Andrejasic wrote:
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> Hello everybody!
> I posted question regarding reindex few days ago. Now I have similar but
> very specific question.
> I am looking for transofmation matrix (3 by 3) for converting hkl
> indexes between various specegroups.
> I found matrix for conversion between P1 into C2. I want to convert C2
> into P1.
> P1 -> C2: 1/2 1/2 -1/2 -1/2 1/2 1/2 1 0 0
> I inverted the matrix to get reverse:
> C2 -> P1: 0 0 1 1 1 0 -1 1 1
> But with no succes. When I apply this matrix on reflexes (after
> conversion of C2 into P1 with SFTOOLS) I get resolution in P1 0.5A.
> Without matrix was 0.8A. Real resolution in C2 is 2.5A.
> Any help will be mostly apreciated.
> Thank you
There isnt just one matrix - it will depend on your cell dimensions..
It is never easy - I start by looking at hklview section hk0 h0l 0kl
etc, and seeinf if I can spot extra symmetry..
Then run axissearch and see if there are other condintions of a*, b* and
c* which have suitable angles, etc..
Then you can use reindex to get your matrix.