Version: 2.05

SOLVE / RESOLVE

SOLVE:Automated crystallographic structure solution for MIR, SAD, and MAD
RESOLVE: Statistical density modification, local pattern matching, automated model-building, and prime-and-switch minimum bias phasing

Tom Terwilliger, Los Alamos National Laboratory
Last updated 1-June-2003 (version 2.05)

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References for SOLVE and RESOLVE

SOLVE: Terwilliger, 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.

(for full list see SOLVE references and RESOLVE references)

Features of version 2.05 of SOLVE / RESOLVE

Local pattern matching: RESOLVE_PATTERN can identify local patterns in your map and use them to improve your phases. Local pattern matching can make a big difference if your map is of moderate quality. You can use the RESOLVE_PATTERN script to do this right after SOLVE.
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.
New standard procedures: The best way to use SOLVE/RESOLVE now on SAD/MAD/MIR data is: (1) edit and run one of the standard SOLVE scripts, (2) edit and run the RESOLVE_PATTERN script, and then (3) edit and run the RESOLVE_AUTOBUILD script. With fast model-building, the whole process only takes a few hours for a small protein.
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.
Coming soon: The PHENIX project (www.phenix-online.org) is a large collaborative project for developing a comprehensive and integrated platform for determing macromolecular structures. The PHENIX software uses graphical tools to let you choose your structure determination pathway from pre-packaged modules. The PHENIX software will take care of all the SOLVE/RESOLVE scripts and let you run SOLVE/RESOLVE from an easy-to-use GUI.
RESOLVE can carry out iterative automated model-building and model-rebuilding using refinement with Garib Murshudov's refmac5 .
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 2.05 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.

How do I get SOLVE and RESOLVE?

*Do yau have a SOLVE license?*	*You can download SOLVE and RESOLVE upgrades at any time, once you have your version 2 license, there are no more forms to fill out. (Version 1 users need a new license.)*
*Do you need a SOLVE license?*	*You need to fill out the license form; you can get a free 45-day license to try it out.*

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