Small repo to collect all code to torsion angle scans on small molecules & natural amino-acids.
conda env create -f environment.yml
conda env create -f environmentoff.yml
conda activate torsionoff
Repo testing various torsion angle scan approaches
Small repo to collect all code to torsion angle scans on small molecules & natural amino-acids.
conda env create -f environment.yml
conda env create -f environmentoff.yml
conda activate torsionoff
Repo testing various torsion angle scan approaches