Maxwell : XChemExplorer

Summary

Source: https://github.com/tkrojer/XChemExplorer
License: MIT
Documentation: http://tkrojer.github.io/XChemExplorer/
Path: /opt/xray/xce
Citation:"The XChemExplorer graphical workflow tool for routine or large-scale protein-ligand structure determination." Acta Crystallogr D Struct Biol. 2017 Mar 1;73(Pt 3):267-278. (https://doi.org/10.1107/S2059798316020234)

XChemExplorer (XCE) is a data-management and workflow tool to support large-scale simultaneous analysis of protein-ligand complexes during structure-based ligand discovery.

Using XChemExplorer

To initialize the environment use the module command:

xwhich XChemExplorer

 Provided by module(s)
  ... module load xray                                         which XChemExplorer: /opt/xray/xce/XChemExplorer/XChemExplorer 
  ... module load ccp4/7.0                                     which XChemExplorer: /opt/xray/xce/XChemExplorer/XChemExplorer 
  ... module load ccp4/7.1                                     which XChemExplorer: /opt/xray/xce/XChemExplorer/XChemExplorer 

 Documentation: https://confluence.desy.de/display/MXW/XChemExplorer
 URL:           https://tkrojer.github.io/XChemExplorer/
 Manual:        https://tkrojer.github.io/XChemExplorer/
 License:       MIT