princelab/msplinter

# msplinter

[![Gem Version][GV img]][Gem Version]
[![Code Climate][CC img]][Code Climate]
[![Coverage Status][CS img]][Coverage Status]

Predicts how molecules will fragment in a mass spectrometer.  Currently
focused on lipid fragmentation under CID, HCD or PQD.

## Installation

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

Then

    gem install msplinter

See [the "Installing" section](https://github.com/princelab/rubabel) for
complete instructions for installing rubabel and openbabel.

## Commandline Usage

Type 'msplinter' with no arguments to see a help message.

## Copyright

MIT license.  See LICENSE.txt for further details.

[Gem Version]: https://rubygems.org/gems/msplinter
[Code Climate]: https://codeclimate.com/github/princelab/msplinter
[Coverage Status]: https://coveralls.io/r/princelab/msplinter

[GV img]: https://badge.fury.io/rb/msplinter.png
[DS img]: https://gemnasium.com/princelab/msplinter.png
[CC img]: https://codeclimate.com/github/princelab/msplinter.png
[CS img]: https://coveralls.io/repos/princelab/msplinter/badge.png?branch=master