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From: Douglas H. <dho...@st...> - 2014-05-12 09:54:48
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Sorry, I missed the request for the input file (still can't see it to be honest). Anyway, I have attached the file. obabel -V gives "Open Babel 2.3.2 -- May 7 2014 -- 09:05:30" i.e. the expected compilation date crystal_ligand.sdf <http://forums.openbabel.org/file/n4657426/crystal_ligand.sdf> My problem is not piping output to a file, but getting obabel, obconformer, or any program at all to output more than one conformer. How do I get more than one conformer in the output? -- View this message in context: http://forums.openbabel.org/Generating-a-diverse-set-of-conformers-tp4656011p4657426.html Sent from the General discussion mailing list archive at Nabble.com. |