Using Spartan

Using the UCSD Spartan`20 computational server at spartanserver.ucsd.edu

• Instructions for submitting remote computational jobs to the UCSD Spartan`20 server

• While most computational jobs from Spartan`24 can still be submitted to the server (which is running Spartan`20),  any calculations that make use of new computational features in Spartan `24 will have to be executed locally. This includes,

  •  computational models that have "Corrected" or "Est." in the title,

  • some of the Conformational Distribution tasks that use a neural network,

  • and the NMR Spectrum task.

Configuring the Spartan`20 computational server on your own computer

• Note, these instructions are for using your own computer as a remote server.  To access the server at spartanserver.ucsd.edu for remote job submission, follow the instructions in the previous section (above).

  • Instructions for configuring the Spartan`20 server

Video tutorials

Basic tutorials

• Building molecular models in Spartan

• Setting up and submitting a calculation

• Using keywords in calculations

• Spartan output, orbital representation, and 2-D sketches 

• Spectra and surfaces

• Building more complex models, measuring geometric parameters, and using constraints

Advanced tutorials

• Peptide model kit demonstration

• Nucleotide model kit demonstration

• Manipulation of spectral data

• Excited state and UV/vis calculations

• NMR calculations part I

• NMR calculations part II