:-(

On Fri, Aug 9, 2013 at 5:29 PM, Patrick Fuller <patrickful...@gmail.com>wrote:

> Hi all,
>
> I've noticed that cycling cif files through obabel does not preserve
> fractional coordinates. Namely, if I run
>
> obabel CoMOF74.cif -O cycled.cif
>
> the output coordinates are cartesian. The 
> source<https://github.com/openbabel/openbabel/blob/master/src/formats/cifformat.cpp>reads
>  like it should output fractional, but I can't figure out how to get
> that behavior working. Can anyone help?
>
> Thanks!
> Pat
>
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