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User:Kvnlmbrts/GTECS 3D

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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.


Kvnlmbrts/GTECS 3D
Developer(s)RWTH Aachen University
Stable release
2012 (1.1) / March 12, 2012; 12 years ago (2012-03-12)
Written inC++
Operating systemMicrosoft Windows, Linux
LicenseGPL
Websitewww.gtecs.rwth-aachen.de

Overview

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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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  • items

Program architecture

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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.

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References

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  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)