User:Kvnlmbrts/GTECS 3D

Kvnlmbrts/GTECS 3D
Developer(s)	RWTH Aachen University
Stable release	2012 (1.1) / March 12, 2012; 12 years ago
Written in	C++
Operating system	Microsoft Windows, Linux
License	GPL
Website	www.gtecs.rwth-aachen.de

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GTECS 3D ^[1] 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

items

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.

External links

GTECS web site

References

^ Lamberts, Kevin (2012). "GTECS3D: A new Program for Graphtheoretical Evaluation of extended Network Structures". Zeitschrift für Kristallographie Supplement (32): 117. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)

[1] Lamberts, Kevin (2012). "GTECS3D: A new Program for Graphtheoretical Evaluation of extended Network Structures". Zeitschrift für Kristallographie Supplement (32): 117. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)

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