bond detection less reliable than by openbabel

[nbehrnd]

In the present form, the script generated .pov will symbolize any bond as a
cylinder if atoms are close for a C-C, C-H, C-N, C-O, or C-F bond. It will fail
in case of C-Cl, or C-S. Possibly the distance between the atoms contributes to
this issue (approx 1.8 A for C-S or C-Cl, but typically less than 1.5 A for the
other ones). Maybe the issue can be resolved by an adjustment of the algorithm
(xyz2mol?).

2023-02-12_by_xyz2mol.zip
2023-02-12_comparison_obabel.zip