Select three or more atoms, then use Save current plane. The saved plane becomes the active reference plane. Select one or more atoms to save distances to the active plane. Selecting exactly 5 or 6 atoms (in ring order) additionally enables ring puckering analysis — see the Rings tab.

Select 5 atoms (5-ring) or 6 atoms (6-ring) in ring connectivity order, then use Save current plane/ring in the selection toolbar. Cremer-Pople puckering parameters (Q, θ, φ₂) are computed and the closest conformational family (chair, boat, twist-boat, envelope, half-chair for 6-rings; envelope or twist for 5-rings) is shown live during selection and stored here once saved.

Select four atoms in order, then use Save dihedral in the selection toolbar.

Select a single atom, then use Save CShM in the selection toolbar. All atoms currently bonded to it (CN 2–6) are used as the coordination sphere — any element can be a central atom, not just metals. The result is compared against the ideal reference polyhedra for that CN and the best (lowest S) match is highlighted; the polyhedral volume (convex hull of central atom + neighbors) is reported alongside it. For CN 4 and 5, the τ₄/τ₄'/τ₅ geometry indices are shown too. The full ranking is saved here.