[phenixbb] phenix reindex

Gregor Hagelueken gregorhagelueken at gmail.com
Mon Jul 12 12:29:04 PDT 2010


Hi,

I got the following output from phenix.xtriage:

...
The full list of Patterson peaks is: 

x      y      z            height   p-value(height)
( 0.500, 0.500, 0.000 ) :   27.056   (2.355e-03)
( 0.333,-0.488, 0.000 ) :    4.790   (9.454e-01)

If the observed pseudo translationals are crystallographic
the following spacegroups and unit cells are possible: 

space group                operator         unit cell of reference setting  
  P 43 (a+b,-a+b,c)       x+1/2, y+1/2, z  (83.41, 83.41, 42.64,  90.00, 90.00, 90.00)
...

I know I can use REINDEX in CCP4 to reindex the data, but is there a way to do it in phenix?

Cheers,
Gregor


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