Re: [Jmol-users] JSmol SMILES failure on cyclopropatriene

[Robert H. <ha...@st...>]

Interesting. Pretty edgy.

On Mon, Jun 1, 2026, 9:56 AM Mark Perri <pe...@so...> wrote:

> Hi Bob,
>
> Here's an edge case for finding smiles in JSmol:
>
> load inline "57449547\n  -OEChem-06012600003D\n\n  3  3  0     0  0  0  0
>  0  0999 V2000\n    0.6058   -0.3361    0.0000 C   0  0  0  0  0  0  0  0
>  0  0  0  0\n   -0.5940   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0
>  0  0  0\n   -0.0118    0.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0
>  0  0\n  1  2  2  0  0  0  0\n  1  3  2  0  0  0  0\n  2  3  2  0  0  0
>  0\nM  END\n"
>
> print {thisModel}.find("SMILES")
>
> Trying to find the SMILES of this molecule locks up the browser.  It's
> probably going in a circle (triangle) forever trying to figure it out.
>
> Thanks,
> Mark
>