nuklear 0.0.1

NUCLeotide AssembleR

NUCLEAR

NUCLEAR (NUCLeotide AssembleR) is a Python package designed primarily to generate oligonucleotide sequences from one or several mono-nucleotide explorations returned by the MCSS docking method.

In a single job, users can request one of two exclusive explorations: either a molecular hotspots search (to gain insights into the most accessible regions of the receptor) or an oligonucleotide search. In the latter case, the oligo-nucleotide sequence and the receptor region to consider can also be specified.

Installation

Create and activate a new virtual environment with your preferred tool (here we use conda), and then install NUCLEAR from PyPI using pip.

conda create -n nuclear
source activate nuclear
pip install -r requirements.txt nuklear

After installation, you should be able to run NUCLEAR as follows:

$ nuclear path-to-config-file.cfg

Documentation

The extensive documentation of the project will be soon available.

Changelog

All notable changes to this project will be documented in this file.

Contributing

Please read the contributor's guide if you are interested in advancing the project.

Note

This project has been set up using PyScaffold 4.5. For details and usage information on PyScaffold see https://pyscaffold.org/.