Miguel,
in order to be able to save an xyz file, I would like to see the following methods in JmolViewer:
String getElementSymbol(int atomIndex) Vector3f getVibrationVector(int atomIndex) float getPartialCharge(int atomIndex)
If you think I am wrong about that, please let me know how else I can get access to the information that these methods hint at.
On an aside, I assume that when you show a vibration you calculate an array of atomic positions for the animation frames. For the export of a vibration as an XYZ movie, I was planning to do the same, but since I assume you already do that, I was wondering whether it may make sense to get yours directly...
Cheers, Ren�
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