Difference between revisions of "Wikiomics:Crystallography toolbox"

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====Direct and dual-space methods====  
 
====Direct and dual-space methods====  
* SHELX-D [from shelex http://shelx.uni-ac.gwdg.de/SHELX/ shelex ]
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* SHELX-D from  [http://shelx.uni-ac.gwdg.de/SHELX/ shelex ]
 
* [http://www.hwi.buffalo.edu/SnB/ Shake and Bake (SnB)]
 
* [http://www.hwi.buffalo.edu/SnB/ Shake and Bake (SnB)]
* Rantan (from ccp4)  
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* Rantan (from ccp4)
  
 
====Ab initio methods====
 
====Ab initio methods====
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[[Category:Protocol]] [[Category:In silico]] [[Category:Data analysis]]

Latest revision as of 04:26, 27 February 2008

Crystallography toolbox

Data processing

Data integration

Scaling

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

Phasing

Molecular replacement

Heavy atom methods

Patterson methods

Direct and dual-space methods

Ab initio methods

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

Phase refinement

  • SHARP/autoSHARP SHARP suite
  • Mlphare, Vecref (from ccp4)
  • Resolve
  • SHELX-E
  • DM (from ccp4)
  • Dmmulti (from ccp4)
  • SOLOMON (from ccp4)

Model building

Model refinement

Structure validation

Utilities

  • Uppsala Software Factory (USF) [2]
  • ccp4


Credits

Template:Credits

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