Project

msplinter

0.0
No commit activity in last 3 years
No release in over 3 years
Predicts how molecules will fragment in a mass spectrometer. Currently focused on lipid fragmentation under CID, HCD or PQD.
2005
2006
2007
2008
2009
2010
2011
2012
2013
2014
2015
2016
2017
2018
2019
2020
2021
2022
2023
2024
 Dependencies

Development

~> 1.3
>= 0
~> 3.12
~> 2.13.0

Runtime

= 0.4.3
~> 2.0.0
 Project Readme

msplinter

Gem Version Code Climate 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 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.