SOLVE:Automated crystallographic structure
solution for MIR, SAD, and MAD
RESOLVE: Statistical density modification, local pattern matching, automated model-building, automated ligand-fitting, and prime-and-switch minimum bias phasing
Tom Terwilliger, Los Alamos National
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Download SOLVE/RESOLVE version 2.11 manual as PDF (11 Mb)
References for SOLVE and RESOLVE
T.C. and J. Berendzen. (1999) "Automated MAD and MIR structure
solution". Acta Crystallographica D55, 849-861.
RESOLVE: Terwilliger, T. C. (2000) "Maximum likelihood density modification," Acta Cryst. D56, 965-972.
RESOLVE model-building: Terwilliger, T.C. (2002) "Automated main-chain model-building by template-matching and iterative fragment extension." Acta Cryst . D59, 34-44.
SOLVE/RESOLVE electron-density map and auto-built atomic model for initiation factor 5a at a resolution of 2.1A. Multiwavelength diffraction data courtesy of Tom Peat; refinement with Garib Murshudov's refmac5; graphics drawn with Alwyn Jones' O
More features of version 2.11 of SOLVE / RESOLVE...
· PHENIX Alpha release NOW AVAILABLE: The PHENIX project (www.phenix-online.org) is a collaboration aimed at developing a comprehensive and integrated platform for determing macromolecular structures. The PHENIX software has graphical tools to let you choose your structure determination pathway from pre-packaged modules and to combine them in many ways, and it has Wizards that lead you through structure determination. You can run the PHENIX Wizards from a GUI or with scripts. PHENIX has full refinement (phenix.refine), dual-space heavy-atom search (HYSS), automated model-building (RESOLVE,TEXTAL), molecular replacement and maximum-likelihood phasing (PHASER), and many other powerful features. Just about anything that SOLVE/RESOLVE scripts can do, PHENIX can do (better)! Give it a try, and be sure to update as new versions become available because it is changing rapidly!
· Fragment identification: RESOLVE can identify the presence of fragments of structure (helices, strands) in your map and use them to improve your phases. Like local pattern matching, this can make a big difference if your map is of moderate quality. This is also automatically carried out using the new RESOLVE_BUILD script.
· Superquick model-building: RESOLVE now can build your model at a rate of up to 1 residue every 2-3 seconds if you have a good map ("superquick_build"). Even the more thorough standard model-building in RESOLVE is now 3 times faster than earlier versions.
· Swap-space needs for SOLVE/RESOLVE: For the standard versions, 1 GB or more of swap space is recommended (700 MB minimum). On linux machines you can now run resolve_huge, and even go as high as "isizeit = 36" if you have 4 GB of swap space. RESOLVE runs best on linux machines if they have 1 GB or more of memory
· You can give SOLVE and RESOLVE all your MAD/SAD data and it will decide at what resolution the signal-to-noise is high enough to use for phasing.
· SOLVE carries out all the steps of macromolecular structure determination from scaling data to calculation of an electron density map, automatically.
· RESOLVE uses statistical density modification (previously called maximum-likelihood density modification) to improve electron density maps
· Prime-and-switch phasing in RESOLVE removes model bias from model-phased maps. See some amazing prime-and-switch examples!
· RESOLVE automatically identifies NCS in heavy-atom sites and applies it for you.
· Version 2.11 contains all of earlier SOLVE and RESOLVE versions. Now you download SOLVE and RESOLVE both at once.
· Your version 2 license is good for all versions 2.xx of SOLVE/RESOLVE. No need for new access codes.
Features of version 2.11 of SOLVE / RESOLVE
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