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SnB


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OS: Linux, Mac

License: free for Non Profit organization; Registration





SnB is a computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining crystal structures from X-ray diffraction data. This program has been used in a routine fashion to solve difficult structures, containing as many as 1000 unique non-H atoms, that could not be solved by traditional reciprocal-space routines based on the tangent formula alone. Recently, SnB has also been used to determine the anomalously scattering substructures of selenomethionyl-substituted proteins containing as many as 160 Se sites.

Generally, non-substructure applications require that diffraction data be measured to 1.1A resolution or higher although some structures having several moderately heavy atoms (e.g. S or Cl) have been solved at 1.4A. SAS or SIR substructure applications routinely use 3A data and have been successful at a resolution as low as 5A.

The current version, SnB v2.3, provides a graphical user interface for
computing normalized structure-factor magnitudes,
the main Shake-and-Bake phasing algorithm, and
visualization and molecule-editing facilities.

SnB can conveniently be run in parallel on multiple processors for faster throughput. In addition, SnB is also available as part of the protein structure determination package, BnP. The BnP interface couples SnB to appropriate components of the PHASES suite, thereby creating an automated pipeline from intensity data to an unambiguous protein electron-density map.

http://www.hwi.buffalo.edu/SnB/



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