This project provides a very simplistic python library for reading and writing .xyz molecule files, as defined in the code snippet below.

from simpleXYZ import xyz
mol = xyz.load_xyz(xyzfile="test.xyz")
print(mol)
# Output: [('C', 0.0, 0.0, 0.0), ('H', 1.0, 1.0, 1.0), ('H', 2.0, 2.0, 2.0), ('H', 3.0, 3.0, 3.0)]
mol = xyz.load_xyz(xyzstring="""4\nSimple xyz test file\nC 0 0 0\nH 1 1 1\nH 2 2 2\nH 3 3 3\n""")
print(mol)
# Output: [('C', 0.0, 0.0, 0.0), ('H', 1.0, 1.0, 1.0), ('H', 2.0, 2.0, 2.0), ('H', 3.0, 3.0, 3.0)]
xyzstring = xyz.save_xyz(mol, xyzfile="test.xyz")
print(xyzstring)
# Output:
4

C 0.0 0.0 0.0
H 1.0 1.0 1.0
H 2.0 2.0 2.0
H 3.0 3.0 3.0

Thus, it is very easy to perform simple geometry operations. The example below shows mirroring along the yz-plane:

from simpleXYZ import xyz
mol = xyz.load_xyz(xyzfile="test.xyz")
print(mol)
mol = [(atom_symbol,-atom_x,atom_y,atom_z) for (atom_symbol,atom_x, atom_y, atom_z) in mol]
print(mol)
xyzstring = xyz.save_xyz(mol,xyzfile="test_mirrored.xyz")
print(xyzstring)