/Metalprot

Primary LanguagePythonMIT LicenseMIT

The software program is used to design Metal binding protein.

Installation

Create a python virtual environment before installing the package. Activate the virtual environment and install the package by

conda activate env_conda

pip install -e .

How to test a specific function in Metalprot.

pytest tests/test_core.py -k 'test_2ndshell'