From: Владимир <com...@gm...> - 2009-07-21 21:08:19
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Hi, I need some help with substructure searching and explicit hydrogens. I use the following command ./babel chem.fs res.smi -b -d -s '[H]c1nccc(N)c1C(=O)O' but the explicit hydrogens are ignored. What am I doing wrong? How I can solve the problem with explicit hydrogens when I use as a query Smiles or Mol Files? Thanks in advance, Vladimir |