T3 chomper

Parse data from Pion Sirius T3 instrument (https://www.pion-inc.com/solutions/products/siriust3) XML files

WARNING HIGHLY WIP

Instructions

First clone and install the repo

git clone git@github.com:OpenADMET/t3-chomper.git
cd t3-chomper
pip install -e . 

You can then parse files from the T3 instrument using the CLI

t3pka --t3-file my_instrument_file.t3

You can also parse a folder's worth of files

t3pka --t3-dir my_directory