README.md

Non Standard Dependencies

BioPython

NumPy

SciPy

tqdm

Test the Code

1. Clone this repository

    git clone https://github.com/prcurran/pdb_superimposer.git
   

2. Create a new environment

    conda env create -f environment.yml
   

3. Install this package

    conda activate super
    pip install .
   

4. Run the CDK2 example

    python example.py
   

5. Remove environment and clean up

    conda env remove -n super
    rm -rf pdb_superimposer