LICENSE
README.md
pyproject.toml
deprecated/_file_io/PQRIO.py
deprecated/_file_io/SurfaceIO.py
deprecated/_file_io/test_fasta.py
deprecated/_file_io/test_io.py
deprecated/_file_io/test_pdb.py
docs/examples.py
html/protkit/geometry/__init__.py
protkit/__init__.py
protkit.egg-info/PKG-INFO
protkit.egg-info/SOURCES.txt
protkit.egg-info/dependency_links.txt
protkit.egg-info/requires.txt
protkit.egg-info/top_level.txt
protkit/core/__init__.py
protkit/core/extend_attributes.py
protkit/core/kdtree.py
protkit/core/math.py
protkit/download/__init__.py
protkit/download/download.py
protkit/enum/__init__.py
protkit/enum/element.py
protkit/enum/element_template.py
protkit/enum/residue_template.py
protkit/enum/residue_type.py
protkit/file_io/__init__.py
protkit/file_io/fasta_io.py
protkit/file_io/mmcif_io.py
protkit/file_io/mmtf_io.py
protkit/file_io/pdb_io.py
protkit/file_io/pqr_io.py
protkit/file_io/prot_io.py
protkit/geometry/__init__.py
protkit/geometry/math.py
protkit/geometry/space_query.py
protkit/metrics/__init__.py
protkit/metrics/classification_eval.py
protkit/metrics/regression_eval.py
protkit/metrics/scoring_matrix.py
protkit/metrics/sequence_eval.py
protkit/metrics/structure_eval.py
protkit/metrics/utility_eval.py
protkit/pipelines/__init__.py
protkit/pipelines/fold_and_dock.py
protkit/pipelines/pipeline.py
protkit/properties/__init__.py
protkit/properties/_circular_variance.py
protkit/properties/_surface_area.py
protkit/properties/bond_angles.py
protkit/properties/bond_lengths.py
protkit/properties/bounds.py
protkit/properties/charge.py
protkit/properties/chemical_class.py
protkit/properties/circular_variance.py
protkit/properties/core_properties.py
protkit/properties/dihedral_angles.py
protkit/properties/donors_acceptors.py
protkit/properties/hydrophobicity.py
protkit/properties/interaction.py
protkit/properties/interface.py
protkit/properties/mass.py
protkit/properties/polarity.py
protkit/properties/properties.py
protkit/properties/property_setter.py
protkit/properties/structural_region.py
protkit/properties/surface_area.py
protkit/properties/vdw_radius.py
protkit/properties/volume.py
protkit/roadmap/__init__.py
protkit/seq/__init__.py
protkit/seq/antibody_sequence.py
protkit/seq/nucleotide_sequence.py
protkit/seq/protein_sequence.py
protkit/seq/sequence.py
protkit/seq/sequence_alignment.py
protkit/structure/__init__.py
protkit/structure/antibody.py
protkit/structure/atom.py
protkit/structure/chain.py
protkit/structure/protein.py
protkit/structure/residue.py
protkit/tasks/__init__.py
protkit/tasks/affinity_predictor.py
protkit/tasks/antibody_annotator.py
protkit/tasks/antibody_humanness_evaluator.py
protkit/tasks/antibody_naturalness_evaluator.py
protkit/tasks/antibody_therapeutic_profiler.py
protkit/tasks/atomic_charge_calculator.py
protkit/tasks/backbone_fixer.py
protkit/tasks/dock_engine.py
protkit/tasks/electrostatics_calculator.py
protkit/tasks/epitope_evaluator.py
protkit/tasks/humanisation_engine.py
protkit/tasks/molecular_dynamics_engine.py
protkit/tasks/molecular_interaction_evaluator.py
protkit/tasks/molecular_surface_constructor.py
protkit/tasks/mutation_engine.py
protkit/tasks/numbering_scheme.py
protkit/tasks/paratope_evaluator.py
protkit/tasks/protonator.py
protkit/tasks/refinement_engine.py
protkit/tasks/sequence_to_structure.py
protkit/tasks/surface_area_calculator.py
protkit/tools/__init__.py
protkit/tools/ablang_adaptor.py
protkit/tools/alphafold_adaptor.py
protkit/tools/anarci_adaptor.py
protkit/tools/apbs_adaptor.py
protkit/tools/arpeggio_adaptor.py
protkit/tools/biophi_adaptor.py
protkit/tools/csmab_adaptor.py
protkit/tools/epicluster_adaptor.py
protkit/tools/eveparatope_adaptor.py
protkit/tools/foldx_adaptor.py
protkit/tools/freesasa_adaptor.py
protkit/tools/haddock_adaptor.py
protkit/tools/igfold_adapter.py
protkit/tools/immunebuilder_adapter.py
protkit/tools/modeller_adaptor.py
protkit/tools/msms_adaptor.py
protkit/tools/nanoshaper_adaptor.py
protkit/tools/openmm_adaptor.py
protkit/tools/paragraph_adaptor.py
protkit/tools/pdb2pqr_adaptor.py
protkit/tools/propka_adaptor.py
protkit/tools/reduce_adapter.py
protkit/tools/test_tools.py
protkit/tools/zdock_adaptor.py
protkit/util/__init__.py
protkit/util/mutation.py
protkit/util/paratope.py
protkit/util/simulation_parameters.py
protkit/util/stats.py
protkit/util/surface.py
protkit/util/trajectory.py
test/__init__.py
test/test_protein.py
test/unit_tests.py
tests/_test_properties.py
tests/prepare_data.py
tests/test_alignment.py
tests/test_bonds.py
tests/test_circular_variance.py
tests/test_download.py
tests/test_file_io.py
tests/test_freesasa_adaptor.py
tests/test_hydrophobicity.py
tests/test_interface.py
tests/test_properties.py
tests/test_sequence.py
tests/test_surface_area.py
tests/test/test.py