This part of the package is an python-based library (set of procedures), which is called in a python
interpreter. We recommend to use jupyter-notebook as an interpreter, however, the standard python should also work for simple operations. Once you have started the interpretor, you need to import the module. To do this type:
import MagicTools
, if no error message appeared, the import worked correctly.
Analysis usually include the following phases: Reading the data from output files; Saving/Writing the data to files, Plotting the data; Numerical analysis/evaluation of the data; Coarse-grain topology generation, Export of the data to external MD packages.
We assume that user is already familiar with the basic Python syntax. If not yet, there are a lot of free introduction courses to Python available on the web, and we highly recommend to familiarize yourself with this versatile and easy-to-use language.