LICENSE
README.md
pyproject.toml
setup.py
scripts/oldProteinIC.py
scripts/update_rotlib.py
src/chilife/FluorLabel.py
src/chilife/IntrinsicLabel.py
src/chilife/LigandEnsemble.py
src/chilife/MolSys.py
src/chilife/MolSysIC.py
src/chilife/RotamerEnsemble.py
src/chilife/SpinLabel.py
src/chilife/SpinLabelTraj.py
src/chilife/SpinLigand.py
src/chilife/Topology.py
src/chilife/__init__.py
src/chilife/alignment_methods.py
src/chilife/base_classes.py
src/chilife/chilife.py
src/chilife/dRotamerEnsemble.py
src/chilife/dSpinLabel.py
src/chilife/globals.py
src/chilife/io.py
src/chilife/ligand_utils.py
src/chilife/math_utils.py
src/chilife/numba_utils.py
src/chilife/pdb_utils.py
src/chilife/protein_utils.py
src/chilife/scoring.py
src/chilife.egg-info/PKG-INFO
src/chilife.egg-info/SOURCES.txt
src/chilife.egg-info/dependency_links.txt
src/chilife.egg-info/requires.txt
src/chilife.egg-info/top_level.txt
src/chilife/data/BondDefs.pkl
src/chilife/data/Untitled.ipynb
src/chilife/data/atom_dict
src/chilife/data/bio_ccd.pkl
src/chilife/data/dihedral_defs.json
src/chilife/data/dihedral_defs.toml
src/chilife/data/mplstyles/chiLife.mplstyle
src/chilife/data/rotamer_libraries/ALL.bbdep.rotamers.lib
src/chilife/data/rotamer_libraries/BBDEP2010_LICENSE
src/chilife/data/rotamer_libraries/IndexBBDep.py
src/chilife/data/rotamer_libraries/R1C.lib
src/chilife/data/rotamer_libraries/RotlibIndexes.pkl
src/chilife/data/rotamer_libraries/additional_rotlib_dirs.txt
src/chilife/data/rotamer_libraries/bbdep.db
src/chilife/data/rotamer_libraries/ccaps.txt
src/chilife/data/rotamer_libraries/defaults.toml
src/chilife/data/rotamer_libraries/make_bbdep_rotlib.py
src/chilife/data/rotamer_libraries/make_rotlib.py
src/chilife/data/rotamer_libraries/ncaps.txt
src/chilife/data/rotamer_libraries/spin_atoms.json
src/chilife/data/rotamer_libraries/cap_pdbs/ACE.pdb
src/chilife/data/rotamer_libraries/cap_pdbs/NME.pdb
src/chilife/data/rotamer_libraries/residue_internal_coords/I1M_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/ala_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/arg_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/ash_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/asn_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/asp_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/cym_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/cys_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/glh_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/gln_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/glu_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/gly_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/hid_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/hie_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/hip_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/his_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/ile_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/leu_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/lyn_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/lys_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/met_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/phe_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/pro_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/r1c_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/remake_ics.py
src/chilife/data/rotamer_libraries/residue_internal_coords/ser_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/thr_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/trp_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/tyr_ic.pkl
src/chilife/data/rotamer_libraries/residue_internal_coords/val_ic.pkl
src/chilife/data/rotamer_libraries/residue_pdbs/R1C.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/ala.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/arg.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/ash.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/asn.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/asp.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/cym.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/cys.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/glh.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/gln.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/glu.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/gly.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/hid.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/hie.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/hip.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/his.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/ile.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/leu.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/lyn.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/lys.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/met.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/phe.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/pro.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/ser.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/thr.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/trp.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/tyr.pdb
src/chilife/data/rotamer_libraries/residue_pdbs/val.pdb
src/chilife/data/rotamer_libraries/user_rotlibs/DCNip2_drotlib.zip
src/chilife/data/rotamer_libraries/user_rotlibs/DCNip4_drotlib.zip
src/chilife/data/rotamer_libraries/user_rotlibs/I1M_rotlib.npz
src/chilife/data/rotamer_libraries/user_rotlibs/M1M_rotlib.npz
src/chilife/data/rotamer_libraries/user_rotlibs/R1M_rotlib.npz
src/chilife/data/rotamer_libraries/user_rotlibs/R7M_rotlib.npz
src/chilife/data/rotamer_libraries/user_rotlibs/TOC_rotlib.npz
src/chilife/data/rotamer_libraries/user_rotlibs/TRT_rotlib.npz
src/chilife/data/rotamer_libraries/user_rotlibs/V1M_rotlib.npz
tests/test_AlignmentMethods.py
tests/test_IntrinsicLabels.py
tests/test_LigandEnsemble.py
tests/test_MathUtils.py
tests/test_MolSys.py
tests/test_MolSysIC.py
tests/test_NumbaUtils.py
tests/test_ProteinUtils.py
tests/test_RotamerEnsemble.py
tests/test_Scoring.py
tests/test_SpinLabel.py
tests/test_SpinLabelTraj.py
tests/test_Topology.py
tests/test_chiLife.py
tests/test_dSpinLabel.py
tests/test_io.py