Biotite: a unifying open source computational biology framework in Python

Abstract Background As molecular biology is creating an increasing amount of sequence and structure data, the multitude of software to analyze this data is also rising. Most of the programs are made for a specific task, hence the user often needs to combine multiple programs in order to reach a goal...

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Main Authors: Patrick Kunzmann, Kay Hamacher
Format: Article
Language:English
Published: BMC 2018-10-01
Series:BMC Bioinformatics
Subjects:
Online Access:http://link.springer.com/article/10.1186/s12859-018-2367-z
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author Patrick Kunzmann
Kay Hamacher
author_facet Patrick Kunzmann
Kay Hamacher
author_sort Patrick Kunzmann
collection DOAJ
description Abstract Background As molecular biology is creating an increasing amount of sequence and structure data, the multitude of software to analyze this data is also rising. Most of the programs are made for a specific task, hence the user often needs to combine multiple programs in order to reach a goal. This can make the data processing unhandy, inflexible and even inefficient due to an overhead of read/write operations. Therefore, it is crucial to have a comprehensive, accessible and efficient computational biology framework in a scripting language to overcome these limitations. Results We have developed the Python package Biotite: a general computational biology framework, that represents sequence and structure data based on NumPy ndarrays. Furthermore the package contains seamless interfaces to biological databases and external software. The source code is freely accessible at https://github.com/biotite-dev/biotite. Conclusions Biotite is unifying in two ways: At first it bundles popular tasks in sequence analysis and structural bioinformatics in a consistently structured package. Secondly it adresses two groups of users: novice programmers get an easy access to Biotite due to its simplicity and the comprehensive documentation. On the other hand, advanced users can profit from its high performance and extensibility. They can implement their algorithms upon Biotite, so they can skip writing code for general functionality (like file parsers) and can focus on what their software makes unique.
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spelling doaj.art-ffeb580d46a9436ea205db802a9fc5482022-12-22T00:19:44ZengBMCBMC Bioinformatics1471-21052018-10-011911810.1186/s12859-018-2367-zBiotite: a unifying open source computational biology framework in PythonPatrick Kunzmann0Kay Hamacher1Department of Computational Biology and Simulation, TU DarmstadtDepartment of Computational Biology and Simulation, TU DarmstadtAbstract Background As molecular biology is creating an increasing amount of sequence and structure data, the multitude of software to analyze this data is also rising. Most of the programs are made for a specific task, hence the user often needs to combine multiple programs in order to reach a goal. This can make the data processing unhandy, inflexible and even inefficient due to an overhead of read/write operations. Therefore, it is crucial to have a comprehensive, accessible and efficient computational biology framework in a scripting language to overcome these limitations. Results We have developed the Python package Biotite: a general computational biology framework, that represents sequence and structure data based on NumPy ndarrays. Furthermore the package contains seamless interfaces to biological databases and external software. The source code is freely accessible at https://github.com/biotite-dev/biotite. Conclusions Biotite is unifying in two ways: At first it bundles popular tasks in sequence analysis and structural bioinformatics in a consistently structured package. Secondly it adresses two groups of users: novice programmers get an easy access to Biotite due to its simplicity and the comprehensive documentation. On the other hand, advanced users can profit from its high performance and extensibility. They can implement their algorithms upon Biotite, so they can skip writing code for general functionality (like file parsers) and can focus on what their software makes unique.http://link.springer.com/article/10.1186/s12859-018-2367-zOpen sourcePythonNumPyStructural biologySequence analysis
spellingShingle Patrick Kunzmann
Kay Hamacher
Biotite: a unifying open source computational biology framework in Python
BMC Bioinformatics
Open source
Python
NumPy
Structural biology
Sequence analysis
title Biotite: a unifying open source computational biology framework in Python
title_full Biotite: a unifying open source computational biology framework in Python
title_fullStr Biotite: a unifying open source computational biology framework in Python
title_full_unstemmed Biotite: a unifying open source computational biology framework in Python
title_short Biotite: a unifying open source computational biology framework in Python
title_sort biotite a unifying open source computational biology framework in python
topic Open source
Python
NumPy
Structural biology
Sequence analysis
url http://link.springer.com/article/10.1186/s12859-018-2367-z
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