Hi Geoffrey,
Thank you for your response and pointing out the options available. I was
actually able to solve the problem by compiling a full package
of openbabel 2.4 myself. The 2.3 version that I was using was installed on
the computing center and did not have the conformer search available,
simply because it was not compiled properly.
-Tayeb
On Tue, Jun 26, 2018 at 2:26 PM Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:
> obabel n-Pentane.xyz -O n-Pentane.sdf --confab --nconf 30
> --writeconformers
>
>
> You don't mention what version of Open Babel you're using, so I can't
> verify that you're actually running confab.
>
> But it's not quite the right syntax - you're using features for the
> default conformer search methods… Try this:
> obabel base.sdf -O conformers.sdf --confab --rcutoff 0.05 --ecutoff 500
> --verbose # Use an RMSD cutoff of 0.05Å and a maximum energy of 500
> kcal/mol with RMSD
>
> Hope that helps,
> -Geoff
>
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