- Author: David Bickel
- Date: 10/30/2023
-
Install miniconda or anaconda on your local machine
-
Create virtual evironment and activate
conda create -n ppidesign python=3.10
conda activate ppidesign
- Install AmberTools trough conda
conda install -c conda-forge ambertools=23
- Download, build, and install this repository
git clone https://github.com/aethertier/ppidesign.git
cd ppidesign
make build
make install
For the usage of the package, consult the examples notebook here.