User Documentation
OctaDist
main()
run_gui()
check_file()
find_coord()
calc_param()
run_cli()
CalcDistortion
DrawComplex_Matplotlib
DrawComplex_Plotly
DrawProjection
DrawTwistingPlane
number_to_symbol()
number_to_radii()
number_to_color()
is_cif()
get_coord_cif()
is_xyz()
get_coord_xyz()
is_gaussian()
get_coord_gaussian()
is_nwchem()
get_coord_nwchem()
is_orca()
get_coord_orca()
is_qchem()
get_coord_qchem()
count_line()
extract_coord()
find_metal()
extract_octa()
angle_sign()
angle_btw_vectors()
angle_btw_planes()
triangle_area()
find_eq_of_plane()
find_fit_plane()
Plot
err_no_file()
err_invalid_ftype()
err_no_coord()
err_less_ligands()
err_no_metal()
err_no_calc()
err_only_2_files()
err_not_equal_atom()
err_atom_not_match()
err_many_files()
err_wrong_format()
err_no_editor()
err_visualizer_not_found()
err_cannot_update()
info_save_results()
info_new_update()
info_using_dev()
info_no_update()
warn_no_metal()
warn_not_octa()
project_atom_onto_line()
project_atom_onto_plane()
ScriptingConsole
DataComplex
StructParam
SurfaceArea
CalcJahnTeller
CalcRMSD
find_bonds()
find_faces_octa()
Welcome to the first section of the OctaDist documentation. Here you can find all information of OctaDist.