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README
Apache-2.0

OpenMS

License (3-Clause BSD) Codacy Badge Build Status Project Stats Gitter install with bioconda

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

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

OpenMS offers analyses for various quantitation protocols, including label-free quantitation, SILAC, iTRAQ, TMT, 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 X!Tandem, 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 Zürich.

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], macOS and Linux).

Licence

OpenMS is released under the three clause BSD licence.

Authors

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

Documentation

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

----------------------------------------------------------------- OpenMS -- Open-Source Mass Spectrometry ----------------------------------------------------------------- Copyright The OpenMS Team -- Eberhard Karls University Tuebingen, ETH Zurich, and Freie Universitaet Berlin 2002-2017. This software is released under a three-clause BSD license: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of any author or any participating institution may be used to endorse or promote products derived from this software without specific prior written permission. For a full list of authors, refer to the file AUTHORS. ----------------------------------------------------------------- THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. The source code of OpenMS is available via our homepage http://www.OpenMS.de OpenMS depends on third party libraries which are listed below. The source code of these libraries is available from their website or can be obtained via a "contrib" package, which specifically configures these libraries for OpenMS and is available on our website. The respective license files for the contrib libraries can be found in the "contrib" package root directory or online (see below). SeqAn - URL: https://www.seqan.de/ - License: https://github.com/seqan/seqan/blob/master/LICENSE libSVM - URL: http://www.csie.ntu.edu.tw/~cjlin/libsvm/ - License: http://www.csie.ntu.edu.tw/~cjlin/libsvm/COPYRIGHT GLPK - URL: http://www.gnu.org/s/glpk/ - License: http://www.gnu.org/copyleft/gpl.html Qt 4 - URL: https://www.qt.io/ - License (links): http://doc.qt.io/qt-4.8/opensourceedition.html Xerces-C - URL: http://xerces.apache.org/xerces-c/index.html - License: http://www.apache.org/licenses/LICENSE-2.0.html Boost (headers) - URL: http://www.boost.org/ - License: http://www.boost.org/more/license_info.html ZLib - URL: http://www.zlib.net - License: http://www.zlib.net/zlib_license.html BZ2Lib - URL: http://www.bzip.org/ - License: http://www.bzip.org/1.0.5/bzip2-manual-1.0.5.html Eigen - URL: http://eigen.tuxfamily.org/ - License: https://www.mozilla.org/en-US/MPL/2.0/ Geometric Tools (Wildmagic) - URL: https://www.geometrictools.com/ - License: http://www.boost.org/LICENSE_1_0.txt SQLite: - URL: https://www.sqlite.org/ - License: https://www.sqlite.org/copyright.html Kiss FFT `- URL: https://sourceforge.net/projects/kissfft/ - License: https://sourceforge.net/p/kissfft/code/ci/default/tree/COPYING --------------------- Search engines: ------------------------ OMSSA - URL: ftp://ftp.ncbi.nlm.nih.gov/pub/lewisg/omssa - License: Public Domain Percolator: - URL: http://percolator.ms/ - License: http://www.apache.org/licenses/LICENSE-2.0.html X!Tandem: - URL and source code: http://www.thegpm.org/tandem/ - License: http://www.perlfoundation.org/attachment/legal/artistic-2_0.txt MyriMatch: - URL and source code: https://www.ncbi.nlm.nih.gov/pubmed/17269722 - License: http://www.apache.org/licenses/LICENSE-2.0.txt MSGF+: - URL and source code: https://github.com/sangtaekim/msgfplus - License: https://github.com/sangtaekim/msgfplus/blob/master/LICENSE.txt Fido: - URL and source code: https://noble.gs.washington.edu/proj/fido/ - License: https://gist.github.com/hendrikweisser/2d10eb8bf1e370e6dfbb LuciPhOr2: - URL and source code: http://luciphor2.sourceforge.net/ - License: http://www.apache.org/licenses/LICENSE-2.0 SpectraST: - URL and source code: https://sourceforge.net/p/sashimi/code/HEAD/tree/trunk/ trans_proteomic_pipeline/src/Search/SpectraST/ - License: https://www.gnu.org/licenses/gpl.html https://www.gnu.org/copyleft/lesser.html SIRIUS: - URL: https://bio.informatik.uni-jena.de/software/sirius/ - License: https://www.gnu.org/licenses/gpl Comet: - URL and source code: https://sourceforge.net/projects/comet-ms/ - License: http://www.apache.org/licenses/LICENSE-2.0.html

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