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Update README.md #49

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Nov 29, 2023
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Update README.md #49

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Expand Up @@ -67,6 +67,18 @@ T3_BENZ_NH2_OH-L2_BENZ_CHO_H_H-HCB_A-AA hexagonal P P

A `.cif` file (the default save format is CIF, but it can be easily changed by setting other value on the `fmt` option) will be created in the `out` folder. The code will print out some information about the structure created.

Currently, it is possible to select the following formats:

- `cif`
- `xsf`
- `pdb`
- `cjson`
- `vasp`
- `turbomole`
- `pqr`
- `qe`
- `xyz`

Besides, the variable `structure` now is a `Framework` object. This object has some attributes that can be accessed:

```python
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