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FreeSASA: An open source C library for solvent accessible surface area calculations

Calculating solvent accessible surface areas (SASA) is a run-of-the-mill calculation in structural biology. Although there are many programs available for this calculation, there are no free-standing, open-source tools designed for easy tool-chain integration. FreeSASA is an open source C library fo...

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Detalles Bibliográficos
Autor principal: Mitternacht, Simon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000Research 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4776673/
https://www.ncbi.nlm.nih.gov/pubmed/26973785
http://dx.doi.org/10.12688/f1000research.7931.1
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author Mitternacht, Simon
author_facet Mitternacht, Simon
author_sort Mitternacht, Simon
collection PubMed
description Calculating solvent accessible surface areas (SASA) is a run-of-the-mill calculation in structural biology. Although there are many programs available for this calculation, there are no free-standing, open-source tools designed for easy tool-chain integration. FreeSASA is an open source C library for SASA calculations that provides both command-line and Python interfaces in addition to its C API. The library implements both Lee and Richards’ and Shrake and Rupley’s approximations, and is highly configurable to allow the user to control molecular parameters, accuracy and output granularity. It only depends on standard C libraries and should therefore be easy to compile and install on any platform. The library is well-documented, stable and efficient. The command-line interface can easily replace closed source legacy programs, with comparable or better accuracy and speed, and with some added functionality.
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spelling pubmed-47766732016-03-10 FreeSASA: An open source C library for solvent accessible surface area calculations Mitternacht, Simon F1000Res Software Tool Article Calculating solvent accessible surface areas (SASA) is a run-of-the-mill calculation in structural biology. Although there are many programs available for this calculation, there are no free-standing, open-source tools designed for easy tool-chain integration. FreeSASA is an open source C library for SASA calculations that provides both command-line and Python interfaces in addition to its C API. The library implements both Lee and Richards’ and Shrake and Rupley’s approximations, and is highly configurable to allow the user to control molecular parameters, accuracy and output granularity. It only depends on standard C libraries and should therefore be easy to compile and install on any platform. The library is well-documented, stable and efficient. The command-line interface can easily replace closed source legacy programs, with comparable or better accuracy and speed, and with some added functionality. F1000Research 2016-02-18 /pmc/articles/PMC4776673/ /pubmed/26973785 http://dx.doi.org/10.12688/f1000research.7931.1 Text en Copyright: © 2016 Mitternacht S http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Software Tool Article
Mitternacht, Simon
FreeSASA: An open source C library for solvent accessible surface area calculations
title FreeSASA: An open source C library for solvent accessible surface area calculations
title_full FreeSASA: An open source C library for solvent accessible surface area calculations
title_fullStr FreeSASA: An open source C library for solvent accessible surface area calculations
title_full_unstemmed FreeSASA: An open source C library for solvent accessible surface area calculations
title_short FreeSASA: An open source C library for solvent accessible surface area calculations
title_sort freesasa: an open source c library for solvent accessible surface area calculations
topic Software Tool Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4776673/
https://www.ncbi.nlm.nih.gov/pubmed/26973785
http://dx.doi.org/10.12688/f1000research.7931.1
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