souadyoujilabadi/SASA_project

Program aimed to calculate the Solvent-Accessible Surface Area of proteins.

SASA

This program aims to calculate the Solvent-Accessible Surface Area (SASA) of a protein.

Setup your environment

Clone the repository:

git clone https://github.com/souadyoujilabadi/SASA_project.git

Move to the new directory:

cd SASA_project

Install anaconda.

Install mamba:

conda install mamba -n base -c conda-forge

Create the SASA conda environment:

mamba env create --file environment.yml

Load the SASA conda environment:

conda activate env_SASA

To deactivate an active environment, use:

conda deactivate 

Example of use

python3 bin/SASA.py -pdb data/pdb/1bzv.pdb -n 92

Results using this example and program:

3749.31 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2)

9.92 PERCENTAGE OF ACCESSIBILITY