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From: Douglas H. <dho...@st...> - 2014-05-12 09:54:08
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Actually that input file isn't the most flexible, here is a different one that is more flexible and also only generates one conformer. crystal_ligand_flex.sdf <http://forums.openbabel.org/file/n4657427/crystal_ligand_flex.sdf> -- View this message in context: http://forums.openbabel.org/Generating-a-diverse-set-of-conformers-tp4656011p4657427.html Sent from the General discussion mailing list archive at Nabble.com. |