Hi,
Please advise me on the following:
Can CENTROID work with MODELS?
I have a file.xyz that contains 180 models where each is associated with a
phonon vibration. How can I view a complete molecules for each model i.e.
how I can view the vibrations of complete molecules for a certain model .
I can view each model (using :load model ~) which shows a fragment of
molecules and not complete.
How I can get CENTROID or PACKED CENTROID to work for a certain model in a
file.xyz that have several models?
NB: I tried both CENTROID and PACKED with file.cif for a molecular
sturcture and it works well.
Many thanks in advance.
Regards,
Mayami
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