User:Kvnlmbrts/GTECS 3D

GTECS 3D is a program for Graphtheoretical Evaluation of Crystal Structures developed from RWTH Aachen University which has been released in its current version 1.1 on 03/12/2012 under GPL. It features analysis of crystal network-structures (for example MOFs or Zeolites) by simplification and topological calculations. Used algorithms are herefore based on graph theory. As input structures are loaded from CIF-Files.

Overview
GTECS is an acronym for Graphtheoretical Evaluation of Crystal Structures and is a program for even that purpose. The program mostly focusses on the interpretation of complicated network structures and uses therefore simplification algorithms and the calculation of topological indices.

Features

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Program architecture
The GUI of GTECS 3D is based on Qt (framework); visualization of the structure uses OpenGL. The whole code is written in C++ and is available as open source.