BackgroundTo evaluate the role of craniofacial shape in malocclusion by application of geometric morphometrics to a set of two-dimensional landmarks and semilandmarks obtained from lateral skull radiographs.MethodsCephalometric radiograph tracings of 88 untreated Caucasians (age range 7–39 years) were assigned to four groups according to their occlusion: neutrocclusion, distocclusion, mesiocclusion, and anterior open bite. The geometric morphometric shape analysis incorporated 66 landmarks and semilandmarks, which underwent generalized Procrustes analysis, between-groups principal component analysis, thin-plate spline deformation grid visualization, permutation tests, and receiver operating characteristic curves.ResultsThe position and shape of the mandible contributed to differences between the distocclusion and mesiocclusion groups, whereas the maxillary shape showed less variation. The growth-related shape alteration during adolescence was most pronounced in the mesiocclusion group and least pronounced in the neutrocclusion group. The open bite group was associated with an altered orientation of the mandibular body and the maxilla,  showed the most hyperdivergent maxillomandibular pattern but was not an own skeletal entity. Despite clear differences in mean shape across the four groups, the individual distribution of craniofacial shape overlapped between the groups without discrete clusters.ConclusionsCraniofacial shape was clearly associated with dental malocclusion and showed considerable variation. Geometric morphometrics was a powerful research tool but for diagnosing individual malocclusion standard cephalometric measurements including overjet and overbite were equally or more efficient than geometric morphometric descriptors.