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Is there any software that could generate the atom configurations used in the .fdf files? I am currently using wxDragon to convert the .cif file, but it would automatically reduce the atom number by taking advantage of symmetry. Besides, wxDragon seems doesn’t allow me to modify the structure. I am wondering what the mainstream tools for this kind of job?

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    $\begingroup$ No time to give a full answer but ASE? $\endgroup$ Commented Jun 12, 2022 at 16:17

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GDIS

A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures.

Although GDIS supports output files from a large number of codes, input files can be created and run within GDIS for:

GULP
GAMESS
SIESTA
Monty
VASP
USPEX

It can be downloaded from GitHub site: https://github.com/arohl/gdis.

Below are some snapshots from the old site.

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