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A set of computational tools written in python for the analysis of viral capsids

Project description

DOI

pyCapsid

Description

A python package for identification of dominant motions and rigid domains of protein shells using Elastic Network Models.

Installation

The package requires python >3.7 and < 3.11, we reccommend python 3.10. Via pip:

pip install pyCapsid

Via conda:

conda install -c luque_lab -c conda-forge pycapsid

Documentation

Documentation is provided on our github pages site: https://luquelab.github.io/pyCapsid/

Examples

We recommend using this Colab notebook as the simplest way to use pyCapsid. Example notebooks are provided in the notebooks folder. An accompanying tutorial is provided in the documentation.

Github Repository

The Github Repository of this project: https://github.com/luquelab/pyCapsid

Project History

This is an evolving repository Started: 2022-10-24

FILES & FOLDERS

FOLDER: /bin --> This folder contains basic scripts and executable files.

FOLDER: /data --> This folder contains the raw data associated with the project and the potential references.

FOLDER: /docs --> This folder contains the manuscript, digital copies of the cited references, figures, and other associated files for publication.

FOLDER: /results --> This folder contains the results, performance analysis, and commented references associated with the project.

FOLDER: /src --> This folder contains source code of the package.

The syntax of markdown files (.md) is CommonMark unless specified otherwise (https://commonmark.org/help/)

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