Sharp: Difference between revisions

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MAD: for the different datasets corresponding to different wavelengths, use identifiers 'peak', 'infl', 'hrem' and/or 'lrem' instead of 'w1' 'w2' and so on. This has the advantage that in autoSHARP, for running SHELXC, the wavelengths can be inferred from the identifiers (instead of from f' and f" which sometimes fails).
MAD: for the different datasets corresponding to different wavelengths, use identifiers 'peak', 'infl', 'hrem' and/or 'lrem' instead of 'w1' 'w2' and so on. This has the advantage that in autoSHARP, for running SHELXC, the wavelengths can be inferred from the identifiers (instead of from f' and f" which sometimes fails).
CCP4 6:
* read http://www.globalphasing.com/pipermail/sharp-discuss/2006-March/001729.html
* read http://www.globalphasing.com/sharp/patches/sharp2.2.x-sushi3.4.x/issues.html
CCP4 6.1 has a autoSHARP GUI in ccp4i - you just need to
% source /where/ever/sharp/setup.csh
    - or -
% . /where/ever/sharp/setup.sh
% ccp4i

Revision as of 15:16, 19 February 2009

Hints for using SHARP

Data preparation:

  • 'unmerged and unscaled' is for SCALEPACK files ( no merge original index)
  • 'merged and unscaled' for data arising from several separate conversions to MTZ files
  • 'merged and scaled' if there is a single MTZ with scaled datasets

MAD: for the different datasets corresponding to different wavelengths, use identifiers 'peak', 'infl', 'hrem' and/or 'lrem' instead of 'w1' 'w2' and so on. This has the advantage that in autoSHARP, for running SHELXC, the wavelengths can be inferred from the identifiers (instead of from f' and f" which sometimes fails).

CCP4 6:

CCP4 6.1 has a autoSHARP GUI in ccp4i - you just need to 

% source /where/ever/sharp/setup.csh
   - or -
% . /where/ever/sharp/setup.sh
% ccp4i
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