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Article

BioShell 3.0: Library for Processing Structural Biology Data

1
Faculty of Chemistry, Biological and Chemical Research Center, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland
2
College of Inter-Faculty Individual Studies in Mathematics and Natural Sciences, University of Warsaw, Stefana Banacha 2C, 02-097 Warsaw, Poland
3
Laboratory of Protein Metabolism, International Institute of Molecular and Cell Biology in Warsaw, 4 Ks. Trojdena Street, 02-109 Warsaw, Poland
*
Author to whom correspondence should be addressed.
Biomolecules 2020, 10(3), 461; https://doi.org/10.3390/biom10030461
Received: 12 January 2020 / Revised: 5 March 2020 / Accepted: 10 March 2020 / Published: 16 March 2020
(This article belongs to the Section Bioinformatics and Systems Biology)
BioShell is an open-source package for processing biological data, particularly focused on structural applications. The package provides parsers, data structures and algorithms for handling and analyzing macromolecular sequences, structures and sequence profiles. The most frequently used routines are accessible by a set of easy-to-use command line utilities for a Linux environment. The full functionality of the package assumes knowledge of C++ or Python to assemble an application using this software library. Since the last publication that announced the version 2.0, the package has been greatly expanded and rewritten in C++ standard 11 (C++11) to improve its modularity and efficiency. A new testing platform has been implemented to continuously test the correctness and integrity of the package. More than two hundred test programs have been published to provide simple examples that can be used as templates. This makes BioShell an easy to use library that greatly speeds up development of bioinformatics applications and web services without compromising computational efficiency. View Full-Text
Keywords: software; structural bioinformatics; macromolecular structure analysis; python library software; structural bioinformatics; macromolecular structure analysis; python library
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MDPI and ACS Style

Macnar, J.M.; Szulc, N.A.; Kryś, J.D.; Badaczewska-Dawid, A.E.; Gront, D. BioShell 3.0: Library for Processing Structural Biology Data. Biomolecules 2020, 10, 461. https://doi.org/10.3390/biom10030461

AMA Style

Macnar JM, Szulc NA, Kryś JD, Badaczewska-Dawid AE, Gront D. BioShell 3.0: Library for Processing Structural Biology Data. Biomolecules. 2020; 10(3):461. https://doi.org/10.3390/biom10030461

Chicago/Turabian Style

Macnar, Joanna M., Natalia A. Szulc, Justyna D. Kryś, Aleksandra E. Badaczewska-Dawid, and Dominik Gront. 2020. "BioShell 3.0: Library for Processing Structural Biology Data" Biomolecules 10, no. 3: 461. https://doi.org/10.3390/biom10030461

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