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pymzML - an interface between Python and mzML Mass spectrometry Files
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README.rst

Introduction

https://travis-ci.org/pymzml/pymzML.svg?branch=master Documentation Status AppVeyor CI status

General information

Module to parse mzML data in Python based on cElementTree

Copyright 2010-2018 by:

M. Kösters,
J. Leufken,
T. Bald,
A. Niehues,
S. Schulze,
K. Sugimoto,
R.P. Zahedi,
M. Hippler,
S.A. Leidel,
C. Fufezan,

Contact information

Please refer to:

Dr. Christian Fufezan
Group Leader Experimental Bioinformatics
Cellzome GmbH
R&D Platform Technology & Science
GSK
Germany

http:// <in transition >

Summary

pymzML is an extension to Python that offers
    1. easy access to mass spectrometry (MS) data that allows the rapid development of tools
    1. a very fast parser for mzML data, the standard mass spectrometry data format
    1. a set of functions to compare and/or handle spectra
    1. random access in compressed files
    1. interactive data visualization

Implementation

pymzML requires Python3.4+. The module is freely available on pymzml.github.com or pypi, published under GPL and requires no additional modules to be installed, but can optionally use numpy.

Download

Get the latest version via github
The complete Documentation can be found as pdf

Citation

M Kösters, J Leufken, S Schulze, K Sugimoto, J Klein, R P Zahedi, M Hippler, S A Leidel, C Fufezan; pymzML v2.0: introducing a highly compressed and seekable gzip format, Bioinformatics, doi: https://doi.org/10.1093/bioinformatics/bty046

Installation

pymzML requires Python 3.4 or higher.

Note

Consider to use a Python virtual environment for easy installation and use. Further, usage of python3.4+ is recommended.

Download pymzML using GitHub or the zip file:

  • GitHub version: Start by cloning the GitHub repository:

    user@localhost:~$ git clone https://github.com/pymzML/pymzml.git
    user@localhost:~$ cd pymzml
    user@localhost:~$ pip install -r requirements.txt
    user@localhost:~$ python setup.py install
    

If you have troubles installing the dependencies, install numpy first separately, since pynumpress requires numpy to be installed.

If you use Windows 7 please use the 'SDK7.1 command prompt' for installation of pymzML to assure correct compiling of the C extensions.

Testing

To test the package and correct installation:

nosetests tests/*.py
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