shelx

Summary

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