LICENSE.md
MANIFEST.in
README.md
setup.py
chemcoord/__init__.py
chemcoord/_common_class.py
chemcoord/_exceptions.py
chemcoord/_pandas_wrapper.py
chemcoord/configuration.py
chemcoord/constants.py
chemcoord/utilities.py
chemcoord/vibration.py
chemcoord/xyz_functions.py
chemcoord/zmat_functions.py
chemcoord.egg-info/PKG-INFO
chemcoord.egg-info/SOURCES.txt
chemcoord.egg-info/dependency_links.txt
chemcoord.egg-info/top_level.txt
docs/source/bugs.rst
docs/source/configuration.rst
docs/source/documentation.rst
docs/source/index.rst
docs/source/installation.rst
docs/source/license.rst
docs/source/references.rst
docs/source/remarks.rst
docs/source/tutorial.rst
docs/source/utilities.rst
docs/source/vibration.rst
docs/source/xyz_functions.rst
docs/source/zmat_functions.rst
docs/source/CONFIGURATION/chemcoord.configuration.read_configuration_file.rst
docs/source/CONFIGURATION/chemcoord.configuration.write_configuration_file.rst
docs/source/Utilities/chemcoord.utilities.distance.rst
docs/source/Utilities/chemcoord.utilities.give_angle.rst
docs/source/Utilities/chemcoord.utilities.kabsch.rst
docs/source/Utilities/chemcoord.utilities.normalize.rst
docs/source/Utilities/chemcoord.utilities.orthormalize.rst
docs/source/Utilities/chemcoord.utilities.rotation_matrix.rst
docs/source/Vibration/chemcoord.vibration.give_distortions.rst
docs/source/Vibration/chemcoord.vibration.mode.rst
docs/source/Vibration/mode/chemcoord.vibration.mode.give_structure.rst
docs/source/Vibration/mode/chemcoord.vibration.mode.interpolate.rst
docs/source/XYZ_Functions/_metadata.rst
docs/source/XYZ_Functions/chemcoord.xyz_functions.Cartesian.rst
docs/source/XYZ_Functions/chemcoord.xyz_functions.isclose.rst
docs/source/XYZ_Functions/chemcoord.xyz_functions.read.rst
docs/source/XYZ_Functions/chemcoord.xyz_functions.view.rst
docs/source/XYZ_Functions/chemcoord.xyz_functions.write.rst
docs/source/XYZ_Functions/metadata.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.__init__.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian._build_zmat.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian._clean_dihedral.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian._divide_et_impera.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian._get_buildlist.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian._preserve_bonds.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.add_data.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.align.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.angle_degrees.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.append.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.barycenter.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.basistransform.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.bond_lengths.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.change_numbering.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.columns.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.connected_to.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.cutcuboid.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.cutsphere.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.dihedral_degrees.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.distance_to.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.fragmentate.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.get_bonds.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.get_fragment.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.index.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.inertia.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.insert.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.location.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.make_similar.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.move.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.move_to.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.partition_chem_env.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.read.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.replace.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.set_index.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.sort_index.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.sort_values.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.to_zmat.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.topologic_center.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.total_mass.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.view.rst
docs/source/XYZ_Functions/Cartesian/chemcoord.xyz_functions.Cartesian.write.rst
docs/source/ZMAT_Functions/chemcoord.zmat_functions.Zmat.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.__init__.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.add_data.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.append.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.change_numbering.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.columns.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.get_buildlist.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.index.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.insert.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.read_zmat.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.replace.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.set_index.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.sort_index.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.sort_values.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.to_xyz.rst
docs/source/ZMAT_Functions/Zmat/chemcoord.zmat_functions.Zmat.write.rst
test/test.py