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Luthaf committed Jul 23, 2021
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# Python binding for the chemfiles library

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## Usage example

Here is a simple usage example for the `chemfiles` module. Please see the
`examples` folder for other examples.
`examples` folder for more examples.

```python
from chemfiles import Trajectory, Frame

trajectory = Trajectory("filename.xyz")
frame = trajectory.read()

print("There are {} atoms in the frame".format(frame.natoms()))
print(f"There are {len(frame.atoms)} atoms in the frame")
positions = frame.positions()

# Do awesome things with the positions here !
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