[sharp-discuss] spacegroup problem

Clemens Vonrhein vonrhein at globalphasing.com
Mon Mar 16 12:13:33 CET 2009


Dear Luca,

it is very possible that the "P 2 21 21" setting gives problems. You
could re-index your data to have "P 21 21 2" with

  reindex hklin P_2_21_21.mtz hklout P_21_21_2.mtz <<e
  REIN HKL k,l,h
  e

Yes: you might have very good reasons for using "P 2 21 21" instead of
"P 21 21 2" and yes, SHARP/autoSHARP should ideally work with any of
those settings. I'll add it to the todo-list (for testing).

The problem possibly doesn't come from the syminfo.lib file but from
the system surrounding the preparation of the SHARP Input file (SIN
file). Do you have "P 2 21 21" in the SIN file or "P22121"?

Cheers

Clemens

On Mon, Mar 16, 2009 at 11:04:13AM +0000, Luca Pellegrini wrote:
> Hello,
> 
> When I run SHARP, it stops with the message:
> 'Failed to find spacegroup in SYMINFO!'
> 
> The space group from the mtz file is P 2 21 21, and this is picked up  
> correctly in the SIN cardfile. I checked the syminfo.lib file, and the  
> space group information relative to P 2 21 21 is present. How can I  
> get SHARP to work with this space group?
> 
> Thank you very much for any help and apologies if this has been  
> explained before.
> 
> Luca
> 
> 
> Luca Pellegrini
> Department of Biochemistry
> University of Cambridge
> 80 Tennis Court Road
> Cambridge CB2 1GA - UK
> 
> 
> 
> _______________________________________________
> sharp-discuss mailing list
> sharp-discuss at globalphasing.com
> https://www.globalphasing.com/mailman/listinfo/sharp-discuss

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