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> cd > nano .bashrc module load new gcc/4.8.2 python/2.7.12 # include this line in the file > . .bashrc
To visualize an xyz file:
> ipython In : from ase.io import read In : from ase.visualize import view In : s=read("file.xyz") In : view(s)
At this point you can rotate the structure, select an atom, then two (you get the distance) or three (you get the angle)…