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
2. Download LCModel binaries and uncompress file
3. Run the installer script
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
You may see the following error message: Infiniband hardware address can be incorrect! Please read BUGS section in ifconfig(8). This should not have any effect. It is a known message in Oscar that will go away in a future update
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.
If you have used LCModel before and have an outdated license file, please remove it
5. Copy the Basis Set
Last updated