pySoftWhere: Automated Interface Analysis of Soft Matter Nanostructures

pySoftWhere is a Python library for analyzing interfaces of soft matter nanostructures, such as micelles, nanoparticles, monolayers, and polymer films. N.B.: This project is still in development!

Using pySoftWhere

Please consult the documentation on Read the Docs

Installation

1. It is recommended to create a new virtual environment in which the pySoftWhere dependencies can be installed, for example

conda create --name pysw_env
conda activate pysw_env

2. Make a directory to download pySoftWhere and change to this directory

(pysw_env) mkdir pysw_dir
(pysw_env) cd pysw_dir

3. Download pySoftWhere from Github

(pysw_env) git clone https://github.com/rmziolek/pySoftWhere.git

4. Install pySoftWhere and its dependencies as required

(pysw_env) cd pySoftWhere
(pysw_env) pip install -e .

5. You may need to add the pySoftWhere installation directory to your .bashrc or .zshrc file

PATH=$PATH:/<path to>/pysw_dir

That's it, you're ready to use pySoftWhere (remember to activate pysw_env!)