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BioShell 3.0: Library for Processing Structural Biology Data.

Joanna M Macnar^1,2, Natalia A Szulc^1,3, Justyna D Kryś¹

¹Faculty of Chemistry, Biological and Chemical Research Center, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland.

|March 20, 2020

Summary

This summary is machine-generated.

BioShell is an open-source bioinformatics package for structural biology applications. This rewritten C++11 version enhances modularity and efficiency for developing applications and web services.

Keywords:

macromolecular structure analysis python library software structural bioinformatics

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Area of Science:

Bioinformatics
Computational Biology
Structural Biology

Background:

BioShell is an open-source package for processing biological data, with a focus on structural applications.
It offers parsers, data structures, and algorithms for analyzing macromolecular sequences, structures, and profiles.
Command-line utilities for Linux environments provide easy access to frequently used routines.

Purpose of the Study:

To announce and describe the expanded capabilities of the BioShell package.
To highlight improvements in modularity and efficiency through a rewrite in C++11.
To introduce a new testing platform and extensive test programs for ensuring package integrity.

Main Methods:

Rewriting the BioShell package in C++ standard 11 (C++11) for enhanced modularity and efficiency.
Implementing a new testing platform for continuous verification of package correctness.
Developing over two hundred test programs to serve as usage examples and templates.

Main Results:

Significant expansion and rewriting of the BioShell package in C++11.
Implementation of a robust testing platform ensuring package integrity.
Availability of numerous test programs facilitating user adoption and application development.

Conclusions:

The updated BioShell package offers improved modularity and computational efficiency.
It accelerates the development of bioinformatics applications and web services.
The comprehensive testing and example programs make BioShell an accessible and reliable library.