This toolbox is made of two command-line tools:
polyhedra knows how to build several shapes: icosahedra, decahedra, Marks decahedra, cuboctahedra...
NPManip attempts to decorate the surface of a metallic NP with hydrides and ligands. Although several ligands are already defined, the user may define new ligands in the library. NPManip is able to maximize the distance between grafted species and to minimize the steric hindrance between them.