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INSTALL.rst

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# Installation

## Using pip

pip install git+https://github.com/fmaschietto/mdigest

## Requirements Pip manages all dependencies but the conda environment file env.yml can be used to create a new conda environment

conda create --name <env> --file env.yml

once the environment is created,

conda activate <env>

will activate it. Pymol should be installed in the environment as:

conda install -c schrodinger pymol-bundle