From: Pascal M. <pas...@gm...> - 2011-03-31 06:55:04
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Dear all, If I convert a mol2 or sdf file to smiles, H are transformed to [2H], with Open Babel 2.3.90 (a svn version I compiled few weeks ago) : echo "C methane" | babel -h -i smi -o mol2 | babel -i mol2 -o smi 1 molecule converted C([2H])([2H])([2H])[2H] methane 1 molecule converted Is it the case for you too? Regards, Pascal |