SHELX

Software Summary

Mesabi

Default Module: 

97.0

Other Modules Available: 

97.0

Last Updated On: 

Wednesday, December 7, 2016

Itasca

Default Module: 

97.0

Other Modules Available: 

97.0

Last Updated On: 

Wednesday, December 7, 2016

Lab

Default Module: 

97.0

Other Versions Available: 

97.0

Last Updated On: 

Wednesday, December 7, 2016

Last Updated On: 

Wednesday, December 7, 2016

Support Level: 
Secondary Support
Software Access Level: 
Open Access
Software Categories: 
Spectroscopy
Software Description
Software Description: 

SHELX is a set of programs for crystal structure determination from single-crystal diffraction data.

SHELX-97 consists of the following programs:

  • SHELXS - Structure solution by Patterson and direct methods
  • SHELXD - Structure solution for difficult problems (and location of anomalous scatterers)
  • SHELXE - Phases from SHELXD heavy atom sites (and density modification)
  • SHELXL - Structure refinement (the version SHELXH is for large structures)
  • CIFTAB - Tables for publication via (small molecule) CIF format
  • SHELXA - Post-absorption corrections (for emergency use only)
  • SHELXPRO - Protein interface to SHELX
  • SHELXWAT - Automatic water divining for macromolecules

Home Page: 

http://shelx.uni-ac.gwdg.de/SHELX/

Software Documentation

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