[gpaw-users] How to convert .traj to xyz/pdb format
Jess Wellendorff
jesswe at fysik.dtu.dk
Tue Jul 17 12:07:10 CEST 2012
Hi Eldhose,
the ase.io.read and ase.io.write methods are used for this:
https://wiki.fysik.dtu.dk/ase/ase/io.html#module-io
- Jess W.
On 07/17/2012 12:00 PM, Eldhose Iype wrote:
> Hi,
>
> Could some one tell me if it is possible to convert my .traj
> trajectory file to either xyz or pdb format?
>
> Regards
> Eldhose
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