obconformer and confab are different
Using confab is documented at:
http://open-babel.readthedocs.org/en/latest/3DStructureGen/multipleconformers.html?highlight=confab#confab
<http://open-babel.readthedocs.org/en/latest/3DStructureGen/multipleconformers.html?highlight=confab#confab>
I believe this is not in 2.3.2, so you should use the latest code from github.
-David
> On Feb 20, 2015, at 5:44 PM, David van der Spoel <sp...@xray.bmc.uu.se> wrote:
>
> Hi,
>
> I read the paper from 2011 by Neil and other OB gurus "Confab -
> Systematic generation of diverse low- energy conformers". Is this
> functionality available in the normal OB development code? I would like
> to be able to call a function to yield the real number of accessible
> conformers, rather than 3^N where N is the number of rotatable bonds.
>
> obconformer gives the number N but 3^N overestimates the real number of
> course. Or should we just run obconformer and use an energy treshold on
> the resulting conformations?
>
> Thanks,
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
> sp...@xray.bmc.uu.se http://folding.bmc.uu.se
>
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