Requirements

If you don’t have Python v3 and/or SWIG yet, the installation procedure differs depending on the operating system.

Python and SWIG can be installed with conda, or with a package manager on Linux and macOS.

Package managers

On Linux:

sudo apt install python3 swig

On macOS:

brew install python3 swig

Note

Users can use their preferred package manager to install SWIG and Python v3.

Conda

If you use conda, you can install Python v3 and SWIG from the defaults channel:

# Use an environment rather than install in base environement (recommended)
conda create -n myenv python=3
conda activate myenv
# The SWIG install command
conda install swig

Installation

The prerequisites for installing SERD is SWIG, Python v3 and PyMOL v2.

To install the latest release on PyPI, run:

pip install SERD

Or to install the latest developmental version, run:

git clone https://github.com/jvsguerra/SERD.git
pip install SERD