Yes cif file has all the information. It is quite straight forward to convert the format, but I did not find the option in Open Babel.
James From: Geoffrey Hutchison [mailto:geoff.hutchi...@gmail.com] Sent: Wednesday, July 22, 2015 9:07 PM To: avogadro-discuss@lists.sourceforge.net Subject: Re: [Avogadro-Discuss] Cif file It seems Avogadro always generate cif files with “ _atom_site_Cartn_“ form. Is there any option to save/convert it to “_atom_site_fract_“ form? Does your system in Avogadro have a unit cell defined? If there's no unit cell information, I don't think Avogadro (or more accurately Open Babel can convert to fractional space). -Geoff
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