[ase-users] ASE-Xcrysden, regarding

[Offermans Willem]

Dear Rahul and ASE friends,

Have you had a look to `ase convert --help`?
and
`ase info —formats`?


Probably you will find what you are looking for.


Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,


Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073

Willem.Offermans at Vito.be<mailto:Willem.Offermans at Vito.be>

[cid:982BA063-B96A-4A1B-89AB-5A01CA9FC70D at vito.local]

On 28 Aug 2019, at 07:09, RAHUL SURESH via ase-users <ase-users at listserv.fysik.dtu.dk<mailto:ase-users at listserv.fysik.dtu.dk>> wrote:

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<http://ase.io/> import read, write
>>> write('abc.xyz<http://abc.xyz/>', read('abc.traj'))


Is this just enough to convert a file format>?


Thank you


Regards,
Rahul
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