SEAMM Tutorial 4: Running from the command-line

The flowchart for the fourth tutorial for SEAMM, which introduces how to run from the commandline. This example starts with the flowchart from the first tutorial, which builds the structure of ethane thiol from its SMILES representation and optimizes the structure using DFTB+ with the default '3ob' parameter set. In this tutorial a Parameters step is inserted at the beginning of the flowchart and edited to create a mandatory input parameter 'SMILES', which is then used in the from SMILES step instead of the fixed string 'CCS' used in the first tutorial. The tutorial then continues to running the flowchart from the command-line, giving a SMILES string as the argument.