On Jan 30, 2012, at 9:24 PM, JP wrote:
> A molecule without atoms sounds a bit weird to me but it seems to be a
> perfectly legal (in CTFile definition) to have a no-atom molecule.
Some SMILES files readers will break if there are no atoms. For example, the
Daylight toolkit SMILES parser gives an error if the SMILES is the empty
string. The OpenSMILES spec follows this tradition and does not allow the empty
string; although that would be trivial to add.
Andrew
da...@dalkescientific.com
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