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.
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Developer(s) | RWTH Aachen University |
---|---|
Stable release | 2012 (1.1)
/ March 12, 2012 |
Written in | C++ |
Operating system | Microsoft Windows, Linux |
License | GPL |
Website | www |
Overview
[edit]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
[edit]- items
Program architecture
[edit]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
[edit]References
[edit]- ^ Lamberts, Kevin (2012). "GTECS3D: A new Program for Graphtheoretical Evaluation of extended Network Structures". Zeitschrift für Kristallographie Supplement (32): 117.
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