Réimplémentation du programme DSSP en Python

Thomas Forest fbf8da4ee4 Correct environment.yml		5 年前
data	Add Readme	5 年前
doc	Some more documentation references about peptide bounds	5 年前
src	Correct environment.yml	5 年前
README.md	Correct environment.yml	5 年前
environment.yml	Correct environment.yml	5 年前

Implementation of the DSSP approach for secondary structure assignation

Attempt to implement the historic 1983 version of DSSP (Define Secondary Structure of Proteins): Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. Kabsch W, Sander C, Biopolymers. 1983 222577-2637. PMID: 6667333; UI: 84128824.

Getting Started

These instructions will get you a copy of the project up and running on your local machine for development and testing purposes. See deployment for notes on how to deploy the project on a live system.

Prerequisites

You need to have Python 3 and Conda on your machine, as it will be used to deploy the running environnement of DSSP. This program has been tested for Python 3.7.4.

Installing

Use conda to create the environment

conda env create --file environment.yml

Load your environnement

conda activate dssp

You should be ready to run the program, by calling, for example

python3 src/dssp.py data/1est.pdb

Author

FOREST Thomas - M2BI - Univ-Paris-Diderot.fr - thomas.forest@etu.univ-paris-diderot.fr

License

This project is licensed under the CeCILL-C License - see eCILL-B FREE SOFTWARE LICENSE AGREEMENT for details

README.md