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

Attachment: CoMOF74.cif
Description: Binary data

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