Re: [ccp4bb]: Reindex

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

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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.

Eleanor