This menu (Control Window) contains dialogs which allow input and correction of data on the molecular or crystal structure itself.
Title/Axes For specifying the type of coordinate axes, or the unit-cell of crystals, and specifying lattice translation in any of the axes (i.e. whether the structure is a crystal, molecule or polymer).
Symmetry For specifying the point group for molecules or the space group for crystals of polymers - or no symmetry.
Pre-Calculation Rotations For rotating and aligning the image in the Atoms Windows.
Input Atoms For entering the label, coordinates and type of the input atoms.
Atom Types For specifying the type numbers, atomic weights and formal charges of the atoms used. By default, this is a table of the standard atomic numbers and weights of the elements.
Species This gives information on the symmetry species, including the number of modes, and allows selection of the species for calculation.
Observed This is for input of the observed wavenumbers in each species, for least-squares refinement or just for comparison.
Remove Symmetry. This option will convert all the atoms generated by symmetry to input atoms, and removes the symmetry specifications. It does not remove lattice translations. This is only possible after a calculation has been carried out.