SHELX

Search Software

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/

SW Documentation: 

To load this software interactively in a Linux environment run the commands:

     module load shelx

Several sub softwares are available here.  To run softwares run the specific commands:

     shelxs

     shelxd

     shelxe

     shelxl

     shelxh

     shelxa

     shelxpro

     shelxwat

     ciftab

For additional information

 

Short Name: 
shelx
SW Module: 
shelx
Service Level: 
Minimal (2)
SW Category: