I was wondering whether someone might be willing to provide some insight into the difference between diffpy.structure and pyobjcryst?
For example, loading a zeolite framework (see attached cif file) with diffpy.structure generates 144 atoms whereas with pyobjcryst only 108 atoms. The last one corresponds to the actual composition.
Is there also a way to print out the entire list of atoms and its positions with pyobjcryst similar to e.g.
stru = loadStructure('CHA_Framework_IZA.cif')
O= stru[stru.element=='O' ]
Thank you in advance!
With kind regards,