[ase-users] ASE-Xcrysden, regarding

[RAHUL SURESH]

Hi

This is the first time using ASE or any program based tool. I am working
SeeKpath tool and the input has to be parsed using ASE. I have a structure
file in xyz as well as pdb format created using gauss view 5. How do I
convert this file to xsf format using ASE?

In the tutorial section, to convert a file format

from ase.io import read, write>>> write('abc.xyz', read('abc.traj'))


Is this just enough to convert a file format>?


Thank you



*Regards,*
*Rahul *
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