Wikiomics:Crystallography toolbox

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Crystallography toolbox

Contents

Data processing

Data integration

  • denzo (from HKL [1])
  • mosflm (from ccp4 [2])
  • d*TREK [3]
  • XDS [4]

Scaling

  • scalepack (from HKL)
  • scala (from ccp4)
  • xprep (from xprep/Bruker)
  • XSCALE [5]

Phasing

Molecular replacement

Heavy atom methods

Patterson methods

  • SOLVE [9]
  • fft (from ccp4)
  • xHercules (from xtalview [10])

Direct and dual-space methods

Ab initio methods

  • Acorn (from ccp4)
  • Oasis (from ccp4)

Phase refinement

  • SHARP/autoSHARP (SHARP suite [12])
  • Mlphare, Vecref (from ccp4)
  • Resolve http://www.solve.lanl.gov/
  • SHELX-E
  • DM (from ccp4)
  • Dmmulti (from ccp4)
  • SOLOMON (from ccp4)

Model building

Model refinement

Structure validation

Utilities

  • Uppsala Software Factory (USF) [20]
  • ccp4


Credits

Template:Credits

  • Tina Bakolitsa wrote this list
  • Darek Kedra translated it into wiki and added links


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