The tutorials are intended for internal use in CASSMedChem laboratory
The workstation is based on Linux OS.
The desktop works as a Windows workstation.
Molecular modeling is often based on the use of a cascade of runs that involves different software.
To reduce the errors, it is best to use scripts that contain all operations with the correct options and sometimes scripts that use the previously defined scripts to apply instructions to a set of molecules, the last option being useful for running calculations at night or weekends.
In Linux these scripts are implemented using the bash shell language whereas in Windows they are implemented in the Windows Command language.
Some
In the next points some general instructions will be presented with some useful Linux commands.