Maxwell : shelx

Summary

Source: https://shelx.uni-goettingen.de/

License: Free for academic use. Registration required. Note: when using SHELX you should register at https://shelx.uni-goettingen.de/register.php

Documentation: https://shelx.uni-goettingen.de/

Path: /opt/xray/shelx and part of CCP4

SHELX is a set of programs for the determination of small (SM) and macromolecular (MM) crystal structures by single crystal X-ray and neutron diffraction.

Using shelx

To initialize the environment use the module command:

xwhich shelxl

 Provided by module(s)
  ... module load md                                           which shelxl: /opt/xray/bin/shelxl 
  ... module load xray                                         which shelxl: /opt/xray/bin/shelxl 
  ... module load xray                                         which shelxl: /opt/xray/ccp4-7.0/bin/shelxl 
  ... module load ccp4/6.4                                     which shelxl: /opt/xray/bin/shelxl 
  ... module load ccp4/6.5                                     which shelxl: /opt/xray/bin/shelxl 
  ... module load ccp4/7.0                                     which shelxl: /opt/xray/bin/shelxl 
  ... module load ccp4/7.0                                     which shelxl: /opt/xray/ccp4-7.0/bin/shelxl 
  ... module load ccp4/7.1                                     which shelxl: /opt/xray/bin/shelxl 
  ... module load ccp4/7.1                                     which shelxl: /opt/xray/ccp4-7.1/bin/shelxl