EvoRator - citations EvoRator EvoRator 2 Clone this repository git clone https://github.com/ntnn19/EvoRator.git Install dssp sudo apt-get install dssp Setup & activate the virtual environment cd EvoRator micromamba env create -p $PWD/venv -f env.yaml micromamba activate $PWD/venv Run an example with a pdb identifier python evorator.py 2lzm "" A \ data/catalytic_sites.csv output --orphan-prediction="True" \ --trained-regressor=evorator_model/EvoRator_SVR_final_model_PERFO_281121.joblib \ --consurfdb-query="" --consurf-output="" --prediction-task="" --job-title=2LZM Run an example with a pdb file python evorator.py "" example/alphafold.pdb \ A data/catalytic_sites.csv output --orphan-prediction="True" \ --trained-regressor=evorator_model/EvoRator_SVR_final_model_PERFO_281121.joblib \ --consurfdb-query="" --consurf-output="" --prediction-task="" --job-title=alphafold