CODE_OF_CONDUCT.md
CONTRIBUTING.md
LICENSE
MANIFEST.in
Makefile
README.md
favicon.ico
favicon.png
favicon.svg
molr-logo-animated.svg
molr-logo.svg
molr.png
py.typed
pyproject.toml
requirements-dev.txt
requirements.txt
conda/conda_build_config.yaml
conda/meta.yaml
example_pdb_files/1aon.pdb
example_pdb_files/1bhl.pdb
example_pdb_files/1bna.pdb
example_pdb_files/1bq0.pdb
example_pdb_files/1crn.cif
example_pdb_files/1crn.pdb
example_pdb_files/1d2f.pdb
example_pdb_files/1gai.pdb
example_pdb_files/1hhp.pdb
example_pdb_files/1ubi.pdb
example_pdb_files/2izf.cif
example_pdb_files/2izf.pdb
example_pdb_files/2ptc.pdb
example_pdb_files/3nir.pdb
example_pdb_files/4e43.cif
example_pdb_files/4e43.pdb
example_pdb_files/4hhb.pdb
example_pdb_files/4laz.pdb
example_pdb_files/4ub7.pdb
example_pdb_files/4x21.pdb
example_pdb_files/6rsa.cif
example_pdb_files/6rsa.pdb
example_pdb_files/generated/alternate_conf.pdb
example_pdb_files/generated/conect_records.pdb
example_pdb_files/generated/crystal_info.pdb
example_pdb_files/generated/elements.pdb
example_pdb_files/generated/insertion_codes.pdb
example_pdb_files/generated/malformed_data.pdb
example_pdb_files/generated/mixed_chains.pdb
example_pdb_files/generated/multi_model.pdb
example_pdb_files/generated/test_multi_model_ags.pdb
molr/__init__.py
molr/_version.py
molr/config.py
molr.egg-info/PKG-INFO
molr.egg-info/SOURCES.txt
molr.egg-info/dependency_links.txt
molr.egg-info/requires.txt
molr.egg-info/top_level.txt
molr/bond_detection/__init__.py
molr/bond_detection/default_detector.py
molr/ccd/__init__.py
molr/ccd/ccd_analyzer.py
molr/ccd/constants_generator.py
molr/ccd/generate_ccd_constants.py
molr/constants/__init__.py
molr/constants/atomic_data.py
molr/constants/bond_parameters.py
molr/constants/pdb_constants.py
molr/constants/residue_bonds.py
molr/core/__init__.py
molr/core/bond_list.py
molr/core/connectivity.py
molr/core/realm.py
molr/core/structure.py
molr/core/structure_ensemble.py
molr/io/__init__.py
molr/io/mmcif.py
molr/io/pdb.py
molr/selection/__init__.py
molr/selection/engine.py
molr/selection/expressions.py
molr/selection/parser.py
molr/topology/__init__.py
molr/utilities/__init__.py
molr/utilities/atom_utils.py
molr/utils/__init__.py
tests/__init__.py
tests/integration/__init__.py
tests/integration/test_e2e_bond_detection.py
tests/integration/test_e2e_multi_model.py
tests/unit/__init__.py
tests/unit/test_bond_list.py
tests/unit/test_default_bond_detector.py
tests/unit/test_io_pdb.py
tests/unit/test_mmcif_parser.py
tests/unit/test_selection.py
tests/unit/test_structure.py