Installation
Installation of LCModel GUI
Installing LCModel in Oscar
Installing LCModel in Oscar for personal use is a simple process. Because LCModel has a graphical interface, you will need to connect to Oscar using the Desktop Application via OpenOnDemand, this will make sure we are using a node that can find its $DISPLAY
.
0. Connecting to Oscar
Connecting via Desktop App in Open on Demand
Click on the Desktop Icon and start a Desktop job. If you receive an error the error
you are already running a Desktop session,
you will need to click on "My interactive sessions" at the top panel on the page. You will see your existing session. Click Launch to start this session.Launch a terminal inside the Desktop interface.
1. Download LCModel tar under your HOME
# change directory to your HOME
cd ~
2. Download LCModel binaries and uncompress file
# download LCModel
wget http://s-provencher.com/pub/LCModel/programs/lcm-64.tar -O lcm-64.tar
# un-tar file
tar xf lcm-64.tar
3. Run the installer script
./install-lcmodel
At this point a GUI window will pop as follows:

Press Continue. A test report should show up as follows:

Close the result window. A new success window will follow

Finally, you can Exit LCMgui
4. Install the License
LCModel is now free. However, you'll need to create an empty license file. You can do so from the terminal as follows.
cd ~/.lcmodel
touch license
If you have used LCModel before and have an outdated license file, please remove it
5. Copy the Basis Set
cp -r /oscar/data/bnc/shared/lcmodel/basis-sets ~/.lcmodel/basis-sets
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