Wikiomics:Crystallography toolbox

Crystallography toolbox

Data integration

 * denzo) (from HKL)
 * mosflm (from ccp4)
 * d*TREK
 * XDS

Scaling

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

Molecular replacement

 * MolRep (from ccp4)
 * Beast (from ccp4)
 * AMoRe (from ccp4)
 * Phaser (from ccp4)
 * EPMR
 * Queen of Spades
 * COMPANG
 * BRUTEPTF (phased molecular replacement)

Patterson methods

 * SOLVE
 * fft (from ccp4)
 * xHercules (from xtalview)

Direct and dual-space methods

 * SHELX-D from shelex
 * Shake and Bake (SnB)
 * Rantan (from ccp4)

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

 * 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)
 * coot
 * Quanta
 * Xtalview
 * Turbo Frodo

Model refinement

 * CNS
 * refmac (from ccp4)
 * TNT

Structure validation

 * Procheck Procheck
 * WhatIf

Utilities

 * Uppsala Software Factory (USF)
 * ccp4

Credits

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