public void write(Molecule newMolecule, String filename) {
InputFileFormat.writeStringToDisk(this.toString(newMolecule), filename);
}
/**
* Writes out the GJF file to disk. Metadata not reproduced. Charge and multiplicity assumed to be
* 1.
*/
public void write(String filename) {
InputFileFormat.writeStringToDisk(this.toString(), filename);
}