[Jmol-users] JSmol SMILES failure on cyclopropatriene

[Mark P. <pe...@so...>]

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