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Re: [ccp4bb]: a SAD case : 8 origins for P212121



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Hello,

in this space group, you have 8 possible origins :
0. 0. 0.
0. 0. 0.5
0. 0.5 0.
0.5 0. 0.
0. 0.5 0.5
0.5 0.0 0.5
0.5 0.5 0.0
0.5 0.5 0.5

After shifting you coordinates according to these values (pdbset), you
might need to bring your atoms back in the unit cell corresponding to
your electron density map. Your graphic program should be able to do
display neighbouring unit cells, or you can translate the coordinates by
+1 or -1 in the appropriate direction (pdbset again).

hope this helps

laurent

> - Eleanor Dobson and Gottfried Palm hinted at the possibility that the
> origin of the substructure could be shifted with respect to the map's
> origin.  Could someone explain how to produce all the origin-shifted
> pdb's?  The space group is P212121.
> 
> Thanks so much in advance!
> 
> Please send replies to the bulletin board.

-- 


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Laurent Maveyraud               
Groupe de Biophysique Structurale  -  IPBS-CNRS

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