shelx
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/
Info
Module Name
shelx
Last Updated On
08/29/2023
Support Level
Secondary Support
Software Access Level
Open Access
Home Page
Documentation
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/
General Linux
To load this module for use in a Linux environment, you can run the command:
module load shelx
Depending on where you are working, there may be more than one version of shelx available. To see which modules are available for loading you can run:
module avail shelx
Agate Modules
Default
97.0
Other Modules
97.0
Mangi Modules
Default
97.0
Other Modules
97.0
Mesabi Modules
Default
97.0
Other Modules
97.0