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Melodia

Melodia_py

Protein Structure Analysis

Melodia_py is a Python library for computing Differential Geometry and Knot Theory descriptors of protein structures.

Installation

  1. Open the terminal.
  2. Run pip install melodia-py for the installation.

Installation in Anaconda Python

We recommend using Miniforge and Mamba for installation (optional). Miniforge is an Anaconda Python-compatible distribution with a faster and more reliable package manager (Mamba). It is as simple to install as the Anaconda distribution.

We start with creation of a new environment for Melodia_py.

conda create -n melodia_py

or (optionally, but highly recommended) replace conda for Miniforge's mamba command.

mamba create -n melodia_py

Next step is to activate the Melodia_py environment

conda activate melodia_py
pip install melodia-py

Or for building and installing Melodia_py for source. The first step is to clone Melodia_py's repository.

git clone https://github.com/rwmontalvao/Melodia.git
cd ./Melodia_py
conda env create -f environment.yml
conda activate melodia_py
python setup.py install

Documentation

The examples folder contains Jupyter Notebooks, with tutorials explaining Melodia_py's functionalities.

Authors

References