README.md

Scripts

In this folder there are some general purpose scripts that might be useful when working with files, jobs and plotting.

rotate_axis_xyz.py - Python script that receives a .xyz file and rotate one axis into another. Might be useful to, for example, change the main axis of a nanotube from y to z, or change the orientation of a slab.
wrap_atoms_xyz.py - Python script that receives a .xyz file and wrap coordinates in one direction. Might be useful to, for example, to wrap coordinates only along the axial direction of a NT.