LICENSE
MANIFEST.in
README.rst
pyproject.toml
setup.py
rmsd/__init__.py
rmsd/__main__.py
rmsd/calculate_rmsd.py
rmsd/version.py
rmsd.egg-info/PKG-INFO
rmsd.egg-info/SOURCES.txt
rmsd.egg-info/dependency_links.txt
rmsd.egg-info/entry_points.txt
rmsd.egg-info/requires.txt
rmsd.egg-info/top_level.txt
tests/conftest.py
tests/test_args.py
tests/test_centroid.py
tests/test_file_reading.py
tests/test_kabsch.py
tests/test_kabsch_weighted.py
tests/test_main.py
tests/test_pdb.py
tests/test_quaternion.py
tests/test_reflections.py
tests/test_reorder.py
tests/test_reorder_inertia.py
tests/test_reorder_print.py
tests/test_reorder_qml.py
tests/resources/CHEMBL3039407.xyz
tests/resources/CHEMBL3039407_order.xyz
tests/resources/SF2HClBrI-a.xyz
tests/resources/SF2HClBrI-b-nxnz.xyz
tests/resources/SF2HClBrI-nxnz.xyz
tests/resources/SF2HClBrI-nyz.xyz
tests/resources/SF2HClBrI-xnz.xyz
tests/resources/SF2HClBrI-xy.xyz
tests/resources/SF2HClBrI-xz.xyz
tests/resources/SF2HClBrI-yz.xyz
tests/resources/bad_format.xyz
tests/resources/butane.xyz
tests/resources/butane_prime.xyz
tests/resources/c6h7-int1-a.xyz
tests/resources/c6h7-int1-b.xyz
tests/resources/c6h7-int1-c.xyz
tests/resources/c6h7-int1-xz.xyz
tests/resources/c6h7-int2-t-b.xyz
tests/resources/c6h7-int2-t.xyz
tests/resources/ci2_1.pdb
tests/resources/ci2_12.pdb
tests/resources/ci2_1r+t.pdb
tests/resources/ci2_2.pdb
tests/resources/ethane-1-2-diolate_a.xyz
tests/resources/ethane-1-2-diolate_b.xyz
tests/resources/ethane.xyz
tests/resources/ethane_bond.xyz
tests/resources/ethane_mini.xyz
tests/resources/ethane_translate.xyz
tests/resources/water.xyz
tests/resources/water_16.xyz
tests/resources/water_16_idx.xyz
tests/resources/water_swapped.xyz
tests/resources/examples/CHEMBL135626.xyz
tests/resources/examples/NS00006345.xyz
tests/resources/issue78/a.xyz
tests/resources/issue78/b.xyz
tests/resources/issue88/native.pdb
tests/resources/issue88/redocked.pdb
tests/resources/issue93/a.xyz
tests/resources/issue93/b.xyz
tests/resources/issue93/c.xyz
tests/resources/issue93/d.xyz
tests/resources/issue98/test1.pdb
tests/resources/issue98/test2.pdb