MEGADOCK-on-Colab: an easy-to-use protein–protein docking tool on Google Colaboratory

MEGADOCK-on-Colab: an easy-to-use protein–protein docking tool on Google Colaboratory

Motivation In this study, we report the development of a Google Colaboratory environment for running our protein-protein docking software, MEGADOCK. We provide a comprehensive ipynb file, including the compilation of MEGADOCK with the FFTW library installation on Colaboratory, the introduction of re...

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Veröffentlicht in:BMC research notes 2023-09, Vol.16 (1), p.1-229, Article 229
1. Verfasser: Ohue, Masahito
Format: Artikel
Sprache:eng
Schlagworte:
Analysis
Bioinformatics
Cloning
Clustering (Computers)
Google Colaboratory
Libraries
MEGADOCK
Methods
Protein-protein interactions
Proteins
Protein–protein docking
Protein–protein interaction
Reproducibility
Research Note
Software
Visualization
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Beschreibung
Zusammenfassung:Motivation In this study, we report the development of a Google Colaboratory environment for running our protein-protein docking software, MEGADOCK. We provide a comprehensive ipynb file, including the compilation of MEGADOCK with the FFTW library installation on Colaboratory, the introduction of related tools using PyPI/apt, and the execution and visualization of docking structures. This streamlined environment enables users to visualize docking structures with just one click. The code is available under a CC-BY NC 4.0 license from https://github.com/ohuelab/MEGADOCK-on-Colab.
ISSN:1756-0500
1756-0500
DOI:10.1186/s13104-023-06505-w