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cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly

MOTIVATION: Many bioinformatics areas require us to assign domain matches onto stretches of a query protein. Starting with a set of candidate matches, we want to identify the optimal subset that has limited/no overlap between matches. This may be further complicated by discontinuous domains in the i...

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Detalles Bibliográficos
Autores principales: Lewis, T E, Sillitoe, I, Lees, J G
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6513158/
https://www.ncbi.nlm.nih.gov/pubmed/30295745
http://dx.doi.org/10.1093/bioinformatics/bty863
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author Lewis, T E
Sillitoe, I
Lees, J G
author_facet Lewis, T E
Sillitoe, I
Lees, J G
author_sort Lewis, T E
collection PubMed
description MOTIVATION: Many bioinformatics areas require us to assign domain matches onto stretches of a query protein. Starting with a set of candidate matches, we want to identify the optimal subset that has limited/no overlap between matches. This may be further complicated by discontinuous domains in the input data. Existing tools are increasingly facing very large data-sets for which they require prohibitive amounts of CPU-time and memory. RESULTS: We present cath-resolve-hits (CRH), a new tool that uses a dynamic-programming algorithm implemented in open-source C++ to handle large datasets quickly (up to ∼1 million hits/second) and in reasonable amounts of memory. It accepts multiple input formats and provides its output in plain text, JSON or graphical HTML. We describe a benchmark against an existing algorithm, which shows CRH delivers very similar or slightly improved results and very much improved CPU/memory performance on large datasets. AVAILABILITY AND IMPLEMENTATION: CRH is available at https://github.com/UCLOrengoGroup/cath-tools; documentation is available at http://cath-tools.readthedocs.io. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
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spelling pubmed-65131582019-05-20 cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly Lewis, T E Sillitoe, I Lees, J G Bioinformatics Applications Notes MOTIVATION: Many bioinformatics areas require us to assign domain matches onto stretches of a query protein. Starting with a set of candidate matches, we want to identify the optimal subset that has limited/no overlap between matches. This may be further complicated by discontinuous domains in the input data. Existing tools are increasingly facing very large data-sets for which they require prohibitive amounts of CPU-time and memory. RESULTS: We present cath-resolve-hits (CRH), a new tool that uses a dynamic-programming algorithm implemented in open-source C++ to handle large datasets quickly (up to ∼1 million hits/second) and in reasonable amounts of memory. It accepts multiple input formats and provides its output in plain text, JSON or graphical HTML. We describe a benchmark against an existing algorithm, which shows CRH delivers very similar or slightly improved results and very much improved CPU/memory performance on large datasets. AVAILABILITY AND IMPLEMENTATION: CRH is available at https://github.com/UCLOrengoGroup/cath-tools; documentation is available at http://cath-tools.readthedocs.io. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online. Oxford University Press 2019-05-15 2018-10-08 /pmc/articles/PMC6513158/ /pubmed/30295745 http://dx.doi.org/10.1093/bioinformatics/bty863 Text en © The Author(s) 2018. Published by Oxford University Press. http://creativecommons.org/licenses/by/4.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Applications Notes
Lewis, T E
Sillitoe, I
Lees, J G
cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly
title cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly
title_full cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly
title_fullStr cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly
title_full_unstemmed cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly
title_short cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly
title_sort cath-resolve-hits: a new tool that resolves domain matches suspiciously quickly
topic Applications Notes
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6513158/
https://www.ncbi.nlm.nih.gov/pubmed/30295745
http://dx.doi.org/10.1093/bioinformatics/bty863
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