Sure, see the docs on --append:
obabel mymol.xyz -otxt --append "MW bonds"
...this will give the molecular weights and the number of bonds.
On 14 September 2017 at 14:46, MD Simulation <mdsimulationgr...@gmail.com>
wrote:
> Hello,
>
> I see that obabel has a number of built-in descriptors (obabel -L
> descriptors). Is it possible to pass in a structure file and get the
> descriptor information?
>
> For example, I have conf.xyz and I would like the number of bonds, is it
> possible to do something like:
>
> obabel conf.xyz --descriptor bonds
>
> Thanks!
>
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