LICENSE.md
README.md
pyproject.toml
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/atoms/pairs.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/shelx.py
tests/test_atoms.py
tests/test_cards.py
tests/test_dsrmath.py
tests/test_dsrmath_ortho.py
tests/test_elements.py
tests/test_misc.py
tests/test_parse.py
tests/test_quatfit.py
tests/test_refine.py
tests/test_restraints.py
tests/test_sdm.py
tests/test_shelx.py