convert

maize.utilities.chem.chem.convert(files: list[Path] | Path, output: Path, extra: list[str] | None = None) → None

Convert one or more molecule files into another using openbabel. Will detect the input and output formats from the suffixes.

Parameters:

• file – Input file(s) to convert, if multiple are given will attempt to aggregate output into a single file

• output – Output file path

• extra – Additional arguments to pass to obabel