Wednesday 5 May 2010

Summary of command line options

I realised that the command-line argument documentation is (woefully) out of date. Until I think of a better way to handle the command line (perhaps using Phil from CCTBX) this will be hard to correct. However, here are the current list of "useful" options:

  • -debug
  • -interactive (for selecting images for autoindexing with Mosflm, Labelit)
  • -2d (old mosflm / scala)
  • -2dr (new mosflm / scala - recommended)
  • -3d (old XDS / XSCALE)
  • -3dr (new XDS / XSCALE) 
  • -3dii / 3diir (as -3d/3dr, using all frames for autoindex)
  • -indexer -integrater -scaler - manually specify the integrater, indexer, scaler to use
  • -image /process/this/sweep
  • -beam x,y (Mosflm reference frame)
  • -atom Se (say) - switch on separation of anomalous pairs
  • -project foo
  • -crystal bar
  • -xinfo project.xinfo
  • -parallel N (set to 1 to swtich off parallel processing)
  • -xparallel N (use multiple machines for XDS - requires working forkintegrate scripts)
  • -spacegroup P212121
  • -resolution 2.8
  • -freer_file free.mtz
  • -reference_reflection_file reference.mtz (to get standard indexing, will copy spacegroup, free column)
That's all for the moment - most of these I never use so I had to consult the code...

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