Metadata-Version: 2.4
Name: pyCapsid
Version: 0.6.0
Summary: A set of computational tools written in python for the analysis of viral capsids
Home-page: https://github.com/luquelab/pycapsid
Author: Luque Lab, Colin Brown, Anuradha Agarwal,Jose Bernard Sedalo
Author-email: colintravisbrown@gmail.com
License: MIT License
Classifier: Development Status :: 1 - Planning
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: MacOS
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Python: >=3.7, <3.13
Description-Content-Type: text/markdown
License-File: LICENSE.txt
Requires-Dist: biotite
Requires-Dist: scikit-learn
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: matplotlib
Requires-Dist: pillow
Requires-Dist: numba>=0.57
Requires-Dist: statsmodels
Requires-Dist: toml
Requires-Dist: markdown
Requires-Dist: seaborn
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: license
Dynamic: license-file
Dynamic: requires-dist
Dynamic: requires-python
Dynamic: summary

[![DOI](https://zenodo.org/badge/555994409.svg)](https://zenodo.org/badge/latestdoi/555994409)

# 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/](https://luquelab.github.io/pyCapsid/)

## Examples
We recommend using this [Colab notebook](https://colab.research.google.com/github/luquelab/pyCapsid/blob/main/notebooks/pyCapsid_colab_notebook.ipynb)
as the simplest way to use pyCapsid.
Example notebooks are provided in the [notebooks folder](https://github.com/luquelab/pyCapsid/tree/main/notebooks).
An accompanying tutorial is provided in the documentation.

## Github Repository
The Github Repository of this project: [https://github.com/luquelab/pyCapsid](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/)



