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Using LCModel

Using LCModel

LCModel is a free spectroscopy software package available from:​​

To install/upgrade into your account on jalapeno and the cluster you can use the command install_lcmodel . If you have an existing install and do not need to keep the old version available enter 'y' when prompted. This should remove any license restrictions present in older versions of the software. Basis sets of model metabolite spectra will have been installed for you.

Once installed, you can run the gui with the command:


​If it complains about being unable to run 'lpr' to generate spectra, change the command to:

​evince 2>/dev/null

​and press the Retry button.

As per the website instructions, for each analysis run you will need to change your control parameters to have:​​

key = 210387309

If you need to run an older, non-free version then we provide a computer which is licensed to use the earlier versions.