ms_calculation

Dependencies

python 3.8.12
numpy 1.22.2
pandas 1.4.1

Before running the script, users must download and install all dependencies. We only show the dependencies that have been tested, but python 3 is necessary.

Quick run

To get help information:

python gen_ms2_table.py -h/-help

An example:

python gen_ms2_table.py -seq GMYRPYIAKYVEEQTLQNSTNLVYDDITQISFINKEKNVKKINLGPDTTIVTETIENADPDEYFLDPDTTIHTFTVENNDTDEHYCGPETTRITKTLENIDPDEYYS -mod H -mod_num 2 -charge 10 -o test