README.md

RosettaConstraintGenerate

Generate Rosetta constraints (Angle (N,Ca,C), Dihedral (phi, psi), AtomPair (between Ca) from given structure

Required packages:

Biopython
numpy
absl

Install Required Packages:

pip install biopython
pip install numpy
pip install absl-py

Usage:

python3 constraint_from_structure.py --structure demo.pdb --distance 20