On Tue, Feb 12, 2013 at 12:06 PM, David Lonie <david.lo...@kitware.com> wrote:
> On Tue, Feb 12, 2013 at 12:00 PM, Noel O'Boyle <baoille...@gmail.com> wrote:
>>
>> Try the xyz format.
>
>
> That was our next guess, just wanted to make sure that I wasn't overlooking
> anything more straightforward.
>
That is a pretty simple solution, I think we should take that path. I
wasn't sure if it might be exposed somewhere in ops too. We would like
to see how much functionality we can get just using the default obabel
command. I wrote a custom executable that made use of the API before,
and we could certainly consider that, but I think this was the last
big thing we needed in terms of Open Babel services.

Thanks for the suggestions.

Marcus

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