Predicts how molecules will fragment in a mass spectrometer. Currently focused on lipid fragmentation under CID, HCD or PQD.
msplinter is built on rubabel, which is built on openbabel. To get the necessary openbabel dependencies on ubuntu/debian:
sudo apt-get install openbabel libopenbabel-dev cmake make curl
gem install msplinter
See the "Installing" section for complete instructions for installing rubabel and openbabel.
Type 'msplinter' with no arguments to see a help message.
MIT license. See LICENSE.txt for further details.