Re: [Jmol-users] XYZ files with unit cell

[Angel Herráez]

Hi Kurt

I don't think that XYZ format supports crystallographic parameters.- You'd 
probably use another file format like CIF, more suited to inlcude that 
information.

Otherwise, you can draw your unitcell from the coordinates, using the 
draw command



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Re: [Jmol-users] XYZ files with unit cell

[Bob Hanson]

Check the LOAD command docs. Jmol can add a unit cell to any file input.  And 
add symmetry operation is desired.  Very simple with xyz files. Your cored need 
to be Cartesian. Jmol will transform those into fractional coord prior to 
applying symmetry.  

Sent from my stupid iPhone 

On Nov 4, 2013, at 2:07 PM, Kurt Fredrickson kdf...@physics.utexas.edu wrote:

 Hi there,
 
 I just started using Jmol a week ago, and it is very useful to see 
 vibrations! Right now I am inputting everything with an XYZ file. Is there 
 any way to add a rhombohedral unit cell frame to the vibration animations? 
 Right now, for my crystal I just have my atoms floating in space.
 
 captainalright
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