SHELX

Software Summary

Mesabi

Default Module:

97.0

Other Modules Available:

97.0

Last Updated On:

Tuesday, August 29, 2023

Mesabi K40

Default Module:

Other Modules Available:

Last Updated On:

Mangi

Default Module:

97.0

Other Modules Available:

97.0

Last Updated On:

Tuesday, August 29, 2023

Mangi v100

Default Module:

Other Modules Available:

Last Updated On:

NICE

Default Module:

Other Versions Available:

Last Updated On:

Tuesday, August 29, 2023

Support Level:

Secondary Support

Software Access Level:

Open Access

Home Page:

Link

Software Categories:

Spectroscopy

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

Software Documentation Tabs

General Linux

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

SHELX Home Page