Problem to import cif/xyz file for calculations

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Pikesh Pal

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Jan 5, 2026, 8:26:08 AM (13 days ago) Jan 5
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Hi, 
I am having following problem during import of cif file for calculations!
Please have a look!
>>> Program started
>>> OctaDist 3.1.0 2024
Exception in Tkinter callback
Traceback (most recent call last):
  File "C:\ProgramData\anaconda3\Lib\tkinter\__init__.py", line 2068, in __call__
    return self.func(*args)
           ~~~~~~~~~^^^^^^^
  File "C:\ProgramData\anaconda3\Lib\site-packages\octadist\main.py", line 483, in open_file
    self.search_coord()
    ~~~~~~~~~~~~~~~~~^^
  File "C:\ProgramData\anaconda3\Lib\site-packages\octadist\main.py", line 508, in search_coord
    atom_full, coord_full = io.extract_coord(self.file_list[i])
                            ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\anaconda3\Lib\site-packages\octadist\src\io.py", line 790, in extract_coord
    atom, coord = get_coord_cif(file)
                  ~~~~~~~~~~~~~^^^^^^
  File "C:\ProgramData\anaconda3\Lib\site-packages\octadist\src\io.py", line 131, in get_coord_cif
    structure = pymatgen.Structure.from_file(f)
                ^^^^^^^^^^^^^^^^^^
AttributeError: module 'pymatgen' has no attribute 'Structure'
Thank you in advance for support!
Regards,
Pikesh
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