CoNTub is software written in Java which runs on Windows, Mac OS X, Linux and Unix Operating systems. It is the first implementation of an algorithm for generating the 3D structure of two arbitrary connected carbon nanotubes by means of one defect or disclination (pentagonal or heptagonal). The software is a set of tools dedicated to the construction of complex carbon nanotube structures for use in computational chemistry.

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  • CoNTub is software written in Java which runs on Windows, Mac OS X, Linux and Unix Operating systems. It is the first implementation of an algorithm for generating the 3D structure of two arbitrary connected carbon nanotubes by means of one defect or disclination (pentagonal or heptagonal). The software is a set of tools dedicated to the construction of complex carbon nanotube structures for use in computational chemistry. CoNTub is the first implementation of building these complex structures, including nanotube heterojunctions, for designing and investigating new nanotube-based devices. CoNTub is based on strip algebra, and is able to find the unique structure for connecting two specific and arbitrary carbon nanotubes. CoNTub allows the geometry of some two-tube heterojunctions to be easily generated, including single-walled nanotubes (SWNTs) and multi-walled nanotubes (MWNTs). The program itself is organized in five Tabbed panelsCoNTub, the first three being dedicated to structure generation, the fourth to the output in PDB format, and the fifth contains a short help section.
  • CoNTub es un software utilizado para conectar dos nanotubos grafíticos arbitrarios. CoNTub v1.0 es un software gratuito escrito en Java que se ejecuta en sistemas operativos Windows, Mac OS X, Linux y Unix. Es el primer algoritmo que genera estructuras 3D resultantes de conectar dos nanotubos grafíticos, mediante un defecto o disclinación (pentágono y heptágono). Este software es un conjunto de herramientas de modelización molecular dedicadas a la construcción de estructuras complejas basadas en nanotubos grafíticos para su uso en química computacional. CoNTub es el primer programa que construye ese tipo de estructuras complejas, y especialmente, heterouniones de nanotubos, para el diseño e investigación de nuevos dispositivos basados en nanotubos. Este software está basado en el álgebra de cintas, que permite encontrar una única estructura para conectar dos específicos y arbitrarios nanotubos grafíticos. CoNTub permite generar fácilmente la geometría de algunas heterouniones de dos nanotubos grafíticos, nanotubos grafíticos monocapa y nanotubos grafíticos multicapa.
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  • Screenshot of the main view in CoNTub 1.0.
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  • April, 2004
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  • freeware
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  • CoNTub
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  • CoNTub is software written in Java which runs on Windows, Mac OS X, Linux and Unix Operating systems. It is the first implementation of an algorithm for generating the 3D structure of two arbitrary connected carbon nanotubes by means of one defect or disclination (pentagonal or heptagonal). The software is a set of tools dedicated to the construction of complex carbon nanotube structures for use in computational chemistry.
  • CoNTub es un software utilizado para conectar dos nanotubos grafíticos arbitrarios. CoNTub v1.0 es un software gratuito escrito en Java que se ejecuta en sistemas operativos Windows, Mac OS X, Linux y Unix. Es el primer algoritmo que genera estructuras 3D resultantes de conectar dos nanotubos grafíticos, mediante un defecto o disclinación (pentágono y heptágono).
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  • CoNTub
  • CoNTub
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  • CoNTub
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