Output file format

Reactor writes the result, product(s) or entire reaction(s), to the output. The accepted output file formats are restricted to those that can store the type of result specified by the user (product or reaction).

MRV, SDfile, SMILES are such file formats.

Note: Special options can narrow down the available output file formats, e.g., storing properties in the output file needs such file format where property fields are available.

Learn more about supported file formats.