AUTHORS.rst
CONTRIBUTING.rst
HISTORY.rst
LICENSE
MANIFEST.in
README.rst
setup.cfg
setup.py
versioneer.py
docs/Makefile
docs/authors.rst
docs/conf.py
docs/history.rst
docs/index.rst
docs/make.bat
docs/molsystem.rst
docs/developer/contributing.rst
docs/developer/index.rst
docs/developer/installation.rst
docs/developer/readme.rst
docs/developer/usage.rst
docs/user/index.rst
docs/user/overview.rst
molsystem/__init__.py
molsystem/_version.py
molsystem/atoms.py
molsystem/bonds.py
molsystem/cell.py
molsystem/cif.py
molsystem/column.py
molsystem/configuration.py
molsystem/configuration_properties.py
molsystem/elements.py
molsystem/frozencolumn.py
molsystem/molfile.py
molsystem/openbabel.py
molsystem/pdb.py
molsystem/properties.py
molsystem/rdkit_.py
molsystem/smiles.py
molsystem/subset.py
molsystem/subsets.py
molsystem/symmetry.py
molsystem/system.py
molsystem/system_db.py
molsystem/table.py
molsystem/template.py
molsystem/templates.py
molsystem/topology.py
molsystem.egg-info/PKG-INFO
molsystem.egg-info/SOURCES.txt
molsystem.egg-info/dependency_links.txt
molsystem.egg-info/requires.txt
molsystem.egg-info/top_level.txt
molsystem/data/standard_properties.csv
tests/__init__.py
tests/conftest.py
tests/test_angiotensin.py
tests/test_atoms.py
tests/test_bonds.py
tests/test_cell.py
tests/test_cif.py
tests/test_configuration_properties.py
tests/test_configurations.py
tests/test_molfile.py
tests/test_openbabel.py
tests/test_pdb.py
tests/test_properties.py
tests/test_property_timings.py
tests/test_rdkit.py
tests/test_smiles.py
tests/test_subsets.py
tests/test_system.py
tests/test_system_db.py
tests/test_table.py
tests/test_templates.py
tests/test_timings.py
tests/test_topology.py
tests/data/1n9v.cif
tests/data/aa-variants-v1.cif
tests/data/acy.mmcif
tests/data/aminoacids.mmcif
tests/data/hoh.mmcif