AuToGraFS
*********

The Automatic Topological Generator for Framework Structures is
software for the design and high-throughput generation of framework
structures such as metal-organic frameworks (MOFs), zeolites,
covalent-organic frameworks (COFs), or any product of reticular
chemistry. The underlying library for chemical objects makes extensive
use of the Atomic Simulation Environment shipped with the Amsterdam
Modeling Suite.

AuToGraFS was developed in the group of Prof. Dr. Heine at Jacobs
University Bremen by Dr. M. Addicoat and D. Coupry. While a console
application is available under a GNU LGPL license, the version shipped
together with the Amsterdam Modeling Suite was heavily modified into a
fully importable Python library for easy scripting capabilities. The
software was also fully integrated into the GUI, and some native
functions were developed for added functionality in this particular
environment. A database of building units often used in existing MOFs
is also provided to cover basic needs.

The rest of this section is dedicated to documentation and a
demonstration of the usage of both the scripting capabilities and GUI
tools from the Automatic Topological Generator for Framework
Structures.

* General AuToGraFS Scripting concepts

* AuToGraFS Examples
