Running CrystalExplorer on the Hoffman2 Cluster
CrystalExplorer has been installed but you will need to follow these steps before it can work for you:
1) request a license number here:
save the number and the name as given
2) log onto the cluster so that you can open GUI applications (see: https://www.hoffman2.idre.ucla.edu/Using-H2/Connecting/Connecting.html#opening-gui-applications)
3) request an interactive session with, for example:
qrsh -l h_data=10G
4) load the application in your environment:
module load crystalexplorer
5) start the app as follows:
CrystalExplorer -r $CRYSTALEXPLORER_RES_DIR & # optionally add "-o name_of_structure.cif
The first time you open the application you will need to perform these steps:
- enter your license info in the pop-up window:
- open the application Preferences menu:
- select the "Expert" tab and in "The Tonto executable" enter the
path:
/u/local/apps/crystalexplorer/21.3/bin/tonto
as shown below and click the OK
button
You should now be all set to run CrystalExplorer on the cluster.