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From: Mark P. <pe...@so...> - 2026-06-01 14:56:20
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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
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