Pointless: Difference between revisions
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The pointless program (see [http://dx.doi.org/10.1107/S0907444905036693 Scaling and Assessment of Data Quality, Philip Evans, Acta Cryst D 62, 72-82]) serves to identify space group possibilities from unmerged data. | The pointless program (see [http://dx.doi.org/10.1107/S0907444905036693 Scaling and Assessment of Data Quality, Philip Evans, Acta Cryst D 62, 72-82]) serves to identify space group possibilities from unmerged data. | ||
The newest version may be obtained from ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/ . HTML documentation is at http://www.ccp4.ac.uk/html/pointless.html | |||
Typical usage for space group determination is | Typical usage for space group determination is | ||
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pointless -copy xdsin XDS_ASCII.HKL hklout XDS_ASCII.mtz | pointless -copy xdsin XDS_ASCII.HKL hklout XDS_ASCII.mtz | ||
(the -copy option does not seem to be required for the latest versions) | |||
See also: | See also: | ||
Revision as of 23:50, 28 September 2010
The pointless program (see Scaling and Assessment of Data Quality, Philip Evans, Acta Cryst D 62, 72-82) serves to identify space group possibilities from unmerged data.
The newest version may be obtained from ftp://ftp.mrc-lmb.cam.ac.uk/pub/pre/ . HTML documentation is at http://www.ccp4.ac.uk/html/pointless.html
Typical usage for space group determination is
pointless xdsin XDS_ASCII.HKL
Typical usage for converting to multi-record MTZ file (for scaling with SCALA) is
pointless -copy xdsin XDS_ASCII.HKL hklout XDS_ASCII.mtz
(the -copy option does not seem to be required for the latest versions)
See also: