Install:
git clone https://github.com/mms29/SingleBeadSAXS.git
cd SingleBeadSAXS
Required env :
conda create -n singlebeadsaxs python=3.8 -y
conda activate singlebeadsaxs
conda install -c defaults -c conda-forge -c https://conda.rosettacommons.org pyrosetta
Get Dunbrack rotamer library :
cd /path/to/singlebeadsaxs
wget https://dl.fbaipublicfiles.com/protein-ebm/dunbrack_rotamer.tar.gz
tar xzvf dunbrack_rotamer.tar.gz
mkdir outputs
# for single beads
python ./single_bead_formfactor.py outputs/single_beads
# for martini beads
python ./single_bead_formfactor.py outputs/martini_beads --martini_beads