Wikiomics:Crystallography toolbox
From OpenWetWare
Crystallography toolbox
Data processing
Data integration
Scaling
- scalepack (from HKL)
- scala (from ccp4)
- xprep (from xprep/Bruker)
- XSCALE [5]
Phasing
Molecular replacement
- MolRep (from ccp4)
- Beast (from ccp4)
- AMoRe (from ccp4)
- Phaser (from ccp4)
- EPMR [6]
- Queen of Spades [7]
- COMPANG [8]
- BRUTEPTF (phased molecular replacement, http://russel.bioc.aecom.yu.edu/server/NYSGRC.html)
Heavy atom methods
Patterson methods
Direct and dual-space methods
- SHELX-D [from shelex http://shelx.uni-ac.gwdg.de/SHELX/]
- Shake and Bake (SnB) [11]
- Rantan (from ccp4)
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
- Automated model building
- Resolve
- ARP/wARP (from ccp4) http://www.embl-hamburg.de/ARP/
- Fffear, ffjoin (from ccp4)
- Interactive model building
- O (from Uppsala Software Factory) [13]
- coot [http://www.ysbl.york.ac.uk/~emsley/coot/
- Quanta [14]
- Xtalview
- Turbo Frodo [15]
Model refinement
Structure validation
Utilities
- Uppsala Software Factory (USF) [20]
- ccp4
Credits
- Tina Bakolitsa wrote this list
- Darek Kedra translated it into wiki and added links