OpenMS - an open-source software framework for mass spectrometry.

Marc Sturm, Andreas Bertsch, Clemens Gröpl, Andreas Hildebrandt, Rene Hussong, Eva Lange, Nico Pfeifer, Ole Schulz-Trieglaff, Alexandra Zerck, Knut Reinert, Oliver Kohlbacher
Author Information
  1. Marc Sturm: Center for Bioinformatics, Eberhard Karls University Tübingen, Sand 14, 72076 Tübingen, Germany. sturm@informatik.uni-tuebingen.de

Abstract

BACKGROUND: Mass spectrometry is an essential analytical technique for high-throughput analysis in proteomics and metabolomics. The development of new separation techniques, precise mass analyzers and experimental protocols is a very active field of research. This leads to more complex experimental setups yielding ever increasing amounts of data. Consequently, analysis of the data is currently often the bottleneck for experimental studies. Although software tools for many data analysis tasks are available today, they are often hard to combine with each other or not flexible enough to allow for rapid prototyping of a new analysis workflow.
RESULTS: We present OpenMS, a software framework for rapid application development in mass spectrometry. OpenMS has been designed to be portable, easy-to-use and robust while offering a rich functionality ranging from basic data structures to sophisticated algorithms for data analysis. This has already been demonstrated in several studies.
CONCLUSION: OpenMS is available under the Lesser GNU Public License (LGPL) from the project website at http://www.openms.de.

References

  1. J Chromatogr A. 2001 Oct 5;931(1-2):1-30 [PMID: 11695512]
  2. Mol Syst Biol. 2005;1:2005.0017 [PMID: 16729052]
  3. Bioinformatics. 2006 Aug 1;22(15):1902-9 [PMID: 16766559]
  4. Proteomics. 2006 Mar;6(6):1770-82 [PMID: 16470651]
  5. Anal Chem. 2006 Feb 1;78(3):779-87 [PMID: 16448051]
  6. Proteomics. 2007 Oct;7(19):3470-80 [PMID: 17726677]
  7. Anal Chem. 2003 Aug 1;75(15):3792-8 [PMID: 14572045]
  8. Bioinformatics. 2007 Aug 1;23(15):2021-3 [PMID: 17545182]
  9. J Proteome Res. 2006 Feb;5(2):414-21 [PMID: 16457608]
  10. Mol Cell Proteomics. 2005 Sep;4(9):1328-40 [PMID: 16048906]
  11. J Am Soc Mass Spectrom. 2000 Apr;11(4):320-32 [PMID: 10757168]
  12. Bioinformatics. 2007 Jul 1;23(13):i273-81 [PMID: 17646306]
  13. Bioinformatics. 2006 Mar 1;22(5):634-6 [PMID: 16403790]
  14. Electrophoresis. 2000 Jun;21(11):2243-51 [PMID: 10892735]
  15. Electrophoresis. 1999 Dec;20(18):3551-67 [PMID: 10612281]
  16. Proteomics. 2006 Feb;6(3):738-41 [PMID: 16411267]
  17. Nat Biotechnol. 2004 Nov;22(11):1459-66 [PMID: 15529173]
  18. BMC Bioinformatics. 2007 Jun 13;8:197 [PMID: 17567892]
  19. Bioinformatics. 2007 Jan 15;23(2):e191-7 [PMID: 17237091]
  20. BMC Bioinformatics. 2007 Nov 30;8:468 [PMID: 18053132]
  21. Pac Symp Biocomput. 2006;:243-54 [PMID: 17094243]
  22. J Proteome Res. 2004 Sep-Oct;3(5):958-64 [PMID: 15473683]
  23. Proteomics. 2005 Aug;5(13):3475-90 [PMID: 16047398]
  24. Anal Chem. 2005 Jul 15;77(14):4626-39 [PMID: 16013882]
  25. IEEE Trans Pattern Anal Mach Intell. 1982 Mar;4(3):229-41 [PMID: 21869030]

MeSH Term

Algorithms
Mass Spectrometry
Programming Languages
Software

Word Cloud

Created with Highcharts 10.0.0analysisdataOpenMSspectrometrymassexperimentalsoftwaredevelopmentnewoftenstudiesavailablerapidframeworkBACKGROUND:Massessentialanalyticaltechniquehigh-throughputproteomicsmetabolomicsseparationtechniquespreciseanalyzersprotocolsactivefieldresearchleadscomplexsetupsyieldingeverincreasingamountsConsequentlycurrentlybottleneckAlthoughtoolsmanytaskstodayhardcombineflexibleenoughallowprototypingworkflowRESULTS:presentapplicationdesignedportableeasy-to-userobustofferingrichfunctionalityrangingbasicstructuressophisticatedalgorithmsalreadydemonstratedseveralCONCLUSION:LesserGNUPublicLicenseLGPLprojectwebsitehttp://wwwopenmsde-open-source

Similar Articles

Cited By