OpenBabel Fallback¶
| Item | Value |
|---|---|
| Format ID | openbabel-fallback in the support matrix; runtime reader reports openbabel |
| Extensions | Unknown extension path, then OpenBabel-supported candidate formats |
| Read | Yes |
| Write | No |
| Registry role | Special fallback reader |
| Data level | Coordinates |
Fallback reader for unknown extensions when OpenBabel can parse the source file.
Python
from molop import AutoParser
parsed = AutoParser("molecule.unknown")[0]
print(parsed.detected_format_id, len(parsed[-1].atoms))
Output contract
On success, the reader ID is openbabel and the second value is the first molecule’s atom
count.
Available formats depend on the local OpenBabel installation.
| Feature | Support | Scope | Limits |
|---|---|---|---|
| Unknown-extension fallback | Partial | Unknown extensions can be read through OpenBabel-compatible formats and converted to an XYZFile/XYZFileFrame model with detected format ID persistence and first-molecule coordinate preservation. | Only the first parsed molecule is converted; output is coordinate-level and OpenBabel availability controls format reach. |