Hi there,
A colleague of mine and myself noticed this 'interesting' behaviour earlier
on today - and I thought I'd drop you an email to get your feedback on this.
A simple test - using Open Babel 2.2.3 -- Sep 15 2010 -- 15:57:55
Put this line in co2h.smi:
CCCC(=O)(O)
Then run:
babel co2h.smi co2h.mol2
babel co2h.mol2 co2h-broken.smi
You can also do (for comparison):
babel co2h.smi co2h.sdf
babel co2h.sdf co2h-not-broken.smi
You will notice that co2h-not-broken.smi has the correct double bond (=)
while co2h-broken.smi does not.
Cheers and thanks,
JP
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