I wrote this reply yesterday, but it didn’t make it to the babble list somehow.
When I try obabel ~/Desktop/crystal_ligand_flex.sdf -O tst-res.sdf --confab --conf 50000 (with your example file), I get a file with 2900 conformers written, so I believe there is a problem with your installation. Your list of ops indicate to me that the eigen support failed in your compile. I’m not an expert in compilation issues, but if you attach the output of cake and make we could try to see if there is a problem. To be sure to capture everything, I’d recommend that you do it with a clean build directory. Kind regards, Fredrik 12 maj 2014 kl. 11:36 skrev Douglas Houston <dhous...@staffmail.ed.ac.uk>: > 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. > > ------------------------------------------------------------------------------ > "Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE > Instantly run your Selenium tests across 300+ browser/OS combos. > Get unparalleled scalability from the best Selenium testing platform available > Simple to use. Nothing to install. Get started now for free." > http://p.sf.net/sfu/SauceLabs > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
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