From: E.L. W. <eg...@sc...> - 2002-11-08 13:09:36
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On Wednesday 30 October 2002 18:29, Richard Muller wrote: > Thanks very much. Attached is a Jaguar optimization file for the > optimization of CH4. I also attach a Python script that I use to > convert the Jaguar output to XYZ, just so you can see what type of > patterns I search for and how I do the conversions. You can > redistribute any of this. Thanx for the example. The next Jmol release (v5) will and current b5 CVS branch supports reading of all frames in the Jaguar file. Note that it also reads the input structure, not just the output... Egon |