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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 from Linux or OS X type the following:
setup phenix [version]
phenix &
Tthere are additional sizes of SOLVE/RESOLVE available: The larger versions can be run from the command line, preferably using the batch queue system. 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.
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.
Version | Maximum reflections |
---|---|
phenix.resolve (default) | 120000 |
phenix.resolve --giant | 240000 |
phenix.resolve --huge | 360000 |
phenix.resove --extra_huge | 720000 |
phenix.resolve --isizeit=N (manually specified) | N * 20000 |
The largest versions will run best in the batch queues.
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 old standalone version is also available at the SOLVE website (Most of the keywords should still work with phenix.[re]solve). That also contains worked examples.
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Contact: webadmin(at)mail^csb^yale^edu Last Modified: Wednesday, 21-May-2014 12:08:27 EDT |