ProteinRelax

To add hydrogen atom and relax protein structure.

python main.py --pdf [PDB_TO_RELAX] --outdir [DIR_TO_SAVE_RELAXED_PDB]

Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
.gitignore		.gitignore
README.md		README.md
amber_minimize.py		amber_minimize.py
cleanup.py		cleanup.py
loss.py		loss.py
main.py		main.py
protein.py		protein.py
relax.py		relax.py
residue_constants.py		residue_constants.py
script.sh		script.sh
stereo_chemical_props.txt		stereo_chemical_props.txt
utils.py		utils.py

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