Module pdbtbx::general_docs::save
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Saving
Once you have your PDB struct you can save it in a couple of ways. The output can be made in two different file formats: PDB and mmCIF. The saving functions represent this choice: save_pdb() and save_mmcif() are clear in the ouput format while save() chooses the format based on the path given if the extension is pdb it will generate a PDB file, if the extension is cif it will generate a mmCIF file.
The other extra option is choosing the *_raw functions. These do not validate the PDB structs before saving and output directly to a std::io::BufWriter. The validation uses the validate_pdb() or validate() functions internally.
All functions
| Format | Normal | Without validation |
|---|---|---|
| Based on input | save() | … |
| PDB | save_pdb() | save_pdb_raw() |
| mmCIF | save_mmcif() | save_mmcif_raw() |