LICENSE.md
README.md
pyproject.toml
requirements.txt
setup.cfg
shelxfile/__init__.py
shelxfile.egg-info/PKG-INFO
shelxfile.egg-info/SOURCES.txt
shelxfile.egg-info/dependency_links.txt
shelxfile.egg-info/top_level.txt
shelxfile/atoms/__init__.py
shelxfile/atoms/atom.py
shelxfile/atoms/atoms.py
shelxfile/draw/__init__.py
shelxfile/draw/draw_molecule.py
shelxfile/fit/__init__.py
shelxfile/fit/quatfit.py
shelxfile/misc/__init__.py
shelxfile/misc/dsrmath.py
shelxfile/misc/elements.py
shelxfile/misc/misc.py
shelxfile/refine/__init__.py
shelxfile/refine/refine.py
shelxfile/shelx/__init__.py
shelxfile/shelx/cards.py
shelxfile/shelx/sdm.py
shelxfile/shelx/sdm_rust.py
shelxfile/shelx/shelx.py
shelxfile/tests/__init__.py
shelxfile/tests/test_atoms.py
shelxfile/tests/test_cards.py
shelxfile/tests/test_dsrmath.py
shelxfile/tests/test_elements.py
shelxfile/tests/test_misc.py
shelxfile/tests/test_quatfit.py
shelxfile/tests/test_sdm.py
shelxfile/tests/test_shelx.py
shelxfile/tests/resources/014EP-4_a_shelxl.res
shelxfile/tests/resources/I-43d.cif
shelxfile/tests/resources/I-43d.res
shelxfile/tests/resources/include_some.dfx
shelxfile/tests/resources/p-31c.res
shelxfile/tests/resources/p21c.fcf
shelxfile/tests/resources/p21c.hkl
shelxfile/tests/resources/p21c.res
shelxfile/tests/resources/p21c.shx-bak
shelxfile/tests/resources/sad-final.res
shelxfile/tests/resources/test-sdm1.res
shelxfile/tests/resources/complete_run/p21c.res
shelxfile/tests/resources/complete_run/test-orig.ins
shelxfile/tests/resources/model_finished/p21c.fcf
shelxfile/tests/resources/model_finished/p21c.hkl
shelxfile/tests/resources/model_finished/p21c.res
shelxfile/tests/resources/model_finished/p21c.shx-bak