Key feature
- user can define lower and upper bounds (between 0 and 100) and define the desired number of intervals for each isotopic form to be included,
- substrate pricing can be entered, which will be incorporated into the scoring criteria,
- simulation of all possible combinations of isotopic forms in a single run,
- ability to simulate stationary or instationary labeling,
- multiple scoring criteria are available and can be applied simultaneously to assess simulation results,
- the results of the scoring criteria are displayed using a table for detailed values and a bar plot for visual representation,
- shipped as a library with a graphical interface,
- open-source, free and easy to install everywhere where Python 3 and pip run,
- biologist-friendly.