LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.py
NCLEdetector/__init__.py
NCLEdetector/_logging.py
NCLEdetector/change_resolution.py
NCLEdetector/clustering.py
NCLEdetector/compare_sim2exp.py
NCLEdetector/entanglement_features.py
NCLEdetector/gaussian_entanglement.py
NCLEdetector/order_params.py
NCLEdetector/statistics.py
NCLEdetector/utilities.py
NCLEdetector.egg-info/PKG-INFO
NCLEdetector.egg-info/SOURCES.txt
NCLEdetector.egg-info/dependency_links.txt
NCLEdetector.egg-info/entry_points.txt
NCLEdetector.egg-info/requires.txt
NCLEdetector.egg-info/top_level.txt
NCLEdetector/Jwalk/GridTools.py
NCLEdetector/Jwalk/PDBTools.py
NCLEdetector/Jwalk/SASDTools.py
NCLEdetector/Jwalk/SurfaceTools.py
NCLEdetector/Jwalk/__init__.py
NCLEdetector/Jwalk/naccess.config.txt
NCLEdetector/resources/__init__.py
NCLEdetector/resources/calc_K.pl
NCLEdetector/resources/calc_Q.pl
NCLEdetector/resources/pulchra
NCLEdetector/resources/stride
NCLEdetector/resources/shared_files/__init__.py
NCLEdetector/resources/shared_files/bt_contact_potential.dat
NCLEdetector/resources/shared_files/karanicolas_dihe_parm.dat
NCLEdetector/resources/shared_files/kgs_contact_potential.dat
NCLEdetector/resources/shared_files/mj_contact_potential.dat
scripts/__init__.py
scripts/_cli_config.py
scripts/convert_cor_psf_to_pdb.py
scripts/generate_labeled_msm_cases.py
scripts/run_Foldingpathway.py
scripts/run_MSM.py
scripts/run_MSMStats.py
scripts/run_OP_on_simulation_traj.py
scripts/run_change_resolution.py
scripts/run_compare_sim2exp.py
scripts/run_montecarlo.py
scripts/run_nativeNCLE.py
scripts/run_nonnative_entanglement_clustering.py
scripts/run_population_modeling.py
scripts/run_workflow4_nativeNCLE_batch.py