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SOLVE/RESOLVE


For information about the jumbo-sized SOLVE/RESOLVE versions and size limitations, click here.


SOLVE: Automated crystallographic structure solution for MIR, SAD, and MAD

RESOLVE: Maximum-likelihood density modification, automated model-building, and prime-and-switch minimum bias phasing

SOLVE is a program that can carry out all the steps of macromolecular structure determination.
It scales data, solves Patterson functions, calculates difference Fouriers, looks at a native Fourier to see if there are distinct solvent and protein regions, and can score partial MAD and MIR solutions to build up a complete solution

RESOLVE is a program that improves electron density maps. RESOLVE uses a maximum-likelihood approach to combine experimental X-ray diffraction information with knowledge about the expected characteristics of an electron density map of a macromolecule. You can run RESOLVE to improve your maps right after using SOLVE or another program to solve your structure. Version 2.02 and higher of RESOLVE will build a model of your structure automatically.

SOLVE/RESOLVE is written by Tom Terwilliger


To start the program at the CSB core from a Linux, Dec or an Sgi type the following:

setup solve (or setup solve old for version 2.06)
solve & or
solve_giant & or
solve_huge &

and similarly for resolve.

Depending on the version, there are additional sizes of SOLVE/RESOLVE available: [re]solve_enormous, [re]solve_humongous, [re]solve_extra_huge, and [re]solve_gigantic. The enormous versions and above of RESOLVE will only run on the crunch machines in the batch queue (and possibly on the newest Linux workstations). Use the batch queue system to run these versions! Although SOLVE is not as restricted, if you are going to use both SOLVE and RESOLVE on a data set, make sure you take the RESOLVE size limits below into account.

NOTE: enormous, humongous, and gigantic were built using CCP4 v4.2; this shouldn't cause a problem when setting up a later version of CCP4, but bear it in mind.

The limiting factor for each version is the maximum number of reflections allowed in RESOLVE. The table below summarizes these limits. For best results, always choose the smallest workable version.

Reflection limits for each version
Version Maximum reflections
(normal) 120000
giant 240000
huge 360000
enormous (2.06 only) 520000
humongous (2.06 only) 660000
extra_huge (current version only) 720000
gigantic (2.06 only) 1120000

A (obsolete) hard copy of the User Manual is available in the core area, and local online documentation is available for the installed current and old versions.

The online manual for the latest version is also available at the SOLVE website. That also contains worked examples.


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Last Modified: Friday, 27-Jul-2007 08:38:43 EDT