A package that implements arbitrary CG models in Pyrosetta. Poses with CG atoms can be folded using the MC objects provided in this package, or using other Rosetta sampling objects.
To install a local version of this package, create a new conda environment using the environment.yml file included in the root directory of this package:
conda env create --name cg_pyrosetta --file environment.yml
Once installed, activate the conda environment with:
conda activate cg_pyrosetta
Now we can install CG Pyrosetta into this new conda environment with:
pip install -e .
The -e flag is optional, however, it compiles the package in developer mode, which lets users make and use changes to the code without needing to reinstall the program.
Copyright (c) 2019, University of Colorado Boulder
Project based on the Computational Molecular Science Python Cookiecutter version 1.0.