Both files are calculation engine independent, which means that any geometry or method file is compatible with any of the calculation engines that Digichem supports, so long as the chosen calculation options are supported by the underlying calculating engine (Figure ). To improve interoperability, we have also made efforts to standardize calculation options across different engines, for example supporting both PBE0 and the Gaussian specific PBE1PBE as names for this popular hybrid functional. Digichem does not currently offer a 3D molecule builder, because this is not possible within the confines of a terminal interface, but instead supports all of the common cheminformatics file formats, including program-independent .xyz and .cml, Gaussian .com/.gjf, ChemDraw .cdx and crystallographic .cif, which are automatically converted to the internal Digichem format. Digichem is able to parse a subset of these formats natively, such as the Gaussian input file and XYZ file, while others are converted by calling the external obabel program, which permits the user to use whichever 3D sketching software they are most accustomed. Files can also be manually interconverted with the digichem convert sub-module.