# Reverse Topological Approach

In the general section on topologies the deconstruction of atomistic structures into topologies was introduced: By way of identifying building blocks (**BB**s) and condensing each of them to a single vertex a topology is obtained.

The reverse of the approach which we call **Reverse Topological Approach** (**RTA**) [7] [5] can be used to generate atomistic structures *in silico*:

This construction can be performed with the *Weaver* program.

The set of Building blocks already defines possible topologies by **Coordination** and **Connectivity**, in the above case a (3,4) net with only 3-4 connections is required. In addition to that the geometry of the vertices of the topology has to match roughly. The four-coordinated vertex should for example not be tetrahedral, but something close to squareplanar.

# Classification

Herein the **Connectivity** and **Geometry** classification methods are introduced. With the **Connectivity** classification data, connectivity patterns between vertices can be identified. The **Geometry** classification data helps to identify the shapes of the vertices belonging to each (embedded) topology. Noth can be used to preselect possible topologies to construct and predict hypothetical MOF structures.

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