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MS Amanda 2.0: Advancements in the standalone implementation

RATIONALE: Database search engines are the preferred method to identify peptides in mass spectrometry data. However, valuable software is in this context not only defined by a powerful algorithm to separate correct from false identifications, but also by constant maintenance and continuous improveme...

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Detalles Bibliográficos
Autores principales: Dorfer, Viktoria, Strobl, Marina, Winkler, Stephan, Mechtler, Karl
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8244010/
https://www.ncbi.nlm.nih.gov/pubmed/33759252
http://dx.doi.org/10.1002/rcm.9088
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author Dorfer, Viktoria
Strobl, Marina
Winkler, Stephan
Mechtler, Karl
author_facet Dorfer, Viktoria
Strobl, Marina
Winkler, Stephan
Mechtler, Karl
author_sort Dorfer, Viktoria
collection PubMed
description RATIONALE: Database search engines are the preferred method to identify peptides in mass spectrometry data. However, valuable software is in this context not only defined by a powerful algorithm to separate correct from false identifications, but also by constant maintenance and continuous improvements. METHODS: In 2014, we presented our peptide identification algorithm MS Amanda, showing its suitability for identifying peptides in high‐resolution tandem mass spectrometry data and its ability to outperform widely used tools to identify peptides. Since then, we have continuously worked on improvements to enhance its usability and to support new trends and developments in this fast‐growing field, while keeping the original scoring algorithm to assess the quality of a peptide spectrum match unchanged. RESULTS: We present the outcome of these efforts, MS Amanda 2.0, a faster and more flexible standalone version with the original scoring algorithm. The new implementation has led to a 3–5× speedup, is able to handle new ion types and supports standard data formats. We also show that MS Amanda 2.0 works best when using only the most common ion types in a particular search instead of all possible ion types. CONCLUSIONS: MS Amanda is available free of charge from https://ms.imp.ac.at/index.php?action=msamanda.
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spelling pubmed-82440102021-07-02 MS Amanda 2.0: Advancements in the standalone implementation Dorfer, Viktoria Strobl, Marina Winkler, Stephan Mechtler, Karl Rapid Commun Mass Spectrom Research Articles RATIONALE: Database search engines are the preferred method to identify peptides in mass spectrometry data. However, valuable software is in this context not only defined by a powerful algorithm to separate correct from false identifications, but also by constant maintenance and continuous improvements. METHODS: In 2014, we presented our peptide identification algorithm MS Amanda, showing its suitability for identifying peptides in high‐resolution tandem mass spectrometry data and its ability to outperform widely used tools to identify peptides. Since then, we have continuously worked on improvements to enhance its usability and to support new trends and developments in this fast‐growing field, while keeping the original scoring algorithm to assess the quality of a peptide spectrum match unchanged. RESULTS: We present the outcome of these efforts, MS Amanda 2.0, a faster and more flexible standalone version with the original scoring algorithm. The new implementation has led to a 3–5× speedup, is able to handle new ion types and supports standard data formats. We also show that MS Amanda 2.0 works best when using only the most common ion types in a particular search instead of all possible ion types. CONCLUSIONS: MS Amanda is available free of charge from https://ms.imp.ac.at/index.php?action=msamanda. John Wiley and Sons Inc. 2021-05-05 2021-06-15 /pmc/articles/PMC8244010/ /pubmed/33759252 http://dx.doi.org/10.1002/rcm.9088 Text en © 2021 The Authors. Rapid Communications in Mass Spectrometry published by John Wiley & Sons Ltd. https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Articles
Dorfer, Viktoria
Strobl, Marina
Winkler, Stephan
Mechtler, Karl
MS Amanda 2.0: Advancements in the standalone implementation
title MS Amanda 2.0: Advancements in the standalone implementation
title_full MS Amanda 2.0: Advancements in the standalone implementation
title_fullStr MS Amanda 2.0: Advancements in the standalone implementation
title_full_unstemmed MS Amanda 2.0: Advancements in the standalone implementation
title_short MS Amanda 2.0: Advancements in the standalone implementation
title_sort ms amanda 2.0: advancements in the standalone implementation
topic Research Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8244010/
https://www.ncbi.nlm.nih.gov/pubmed/33759252
http://dx.doi.org/10.1002/rcm.9088
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