Python wrapper for C++ LC-MS library OpenMS


Keywords
3-clause-bsd, algorithms, analyses, c-plus-plus, hacktoberfest, linux, macos, mass-spectrometry, metabolomics, ms-data, openms, proteomics, windows
License
BSD-3-Clause
Install
pip install pyopenms==3.1.0

Documentation

OpenMS

Build Status Project Stats Gitter License (3-Clause BSD)

OpenMS is an open-source software C++ library for LC-MS data management and analyses. It offers an infrastructure for the rapid development of mass spectrometry related software. OpenMS is free software available under the three clause BSD license and runs under Windows, MacOSX and Linux.

It comes with a vast variety of pre-built and ready-to-use tools for proteomics and metabolomics data analysis (TOPPTools) and powerful 2D and 3D visualization(TOPPView).

OpenMS offers analyses for various quantitation protocols, including label-free quantitation, SILAC, iTRAQ, SRM, SWATH, etc.

It provides built-in algorithms for de-novo identification and database search, as well as adapters to other state-of-the art tools like XTandem, Mascot, OMSSA, etc. It supports easy integration of OpenMS built tools into workflow engines like Knime, Galaxy, WS-Pgrade, and TOPPAS via the TOPPtools concept and a unified parameter handling via a 'common tool description' (CTD) scheme.

With PyOpenMS, OpenMS offers Python bindings to a large part of the OpenMS API to enable rapid algorithm development. OpenMS supports the Proteomics Standard Initiative (PSI) formats for MS data. The main contributors of OpenMS are currently the Eberhard-Karls Universität in Tübingen, the Freie Universität Berlin and the ETH Zurich.

Features

  • Core C++ library
  • TOPP Tools, 150+ analysis tools (150+), covering most MS and LC-MS data processing and mining tasks.
  • Support for all major platforms (Windows [XP, 7, 8, 10], Linux, MacOS).

Licence

OpenMS is released under the three clause BSD licence.

Authors

The file AUTHORS contains a full list of all authors who worked on OpenMS

Documentation

Users and developers should start by reading the OpenMS wiki and consult the current documentation.