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 ------------------------------------------------------------------------------ Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself; WebMatrix provides all the features you need to develop and publish your website. http://p.sf.net/sfu/ms-webmatrix-sf _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
