Suppose we wish to search for subgraphs of the IRMOFparent crystal structure that are isomorphic to a p-phenylene query fragment. The PoreMatMod.jl code: # read in crystal structure of parent MOF parent_xtal = Crystal("IRMOF-1.cif") # read in query fragment query_fragment = moiety("p-phenylene.xyz") # search for isomorphic subgraphs search = query_fragment ∈ parent_xtal finds a set of isomorphisms between subgraphs of the parent IRMOF-graph and the pphenylene query graph, composed of groups of four symmetry-equivalent isomorphisms with distinct subgraphs in the IRMOF-unit cell (one on each BDC linker). See Fig.