Search Results for "fullerene"

FullFun (stand for Fullerene Functionalization) is an open source software package, licensed under the GNU General Public License (GPL). It provides an efficient and easy way to generate, analyze and predict fullerene-related structures. The package consists of four programs: CSIOpt, XSI, XSIOpt and bkcage. They are implemented using the C and C++ languages and distributed under an open source licence.

WInCaGe is a software with friendly GUI for generating fullerene and capped nanotube structures. It is a WIndows version of the CaGe program, the most commonly used fullerene generator (https://www.math.uni-bielefeld.de/~CaGe/fullerenes.html), which is designed for Unix/Linux and the GUI is built on the Java platform. WinCage has integrated most of the features of CaGe v0.3, as follows: 1.

...You can generate any kind of nanotubes (n,m) with chirality indices n and m ranging from 0 to 60, and the number of repetitive unit cells up to 50. You can also generate some typical fullerene cages from C20 up to C320.

NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the structure generation routines into pre-existing code.

ninithi 3D modelling software developed by Lanka Software Foundation can be used to visualize carbon nanotubes, fullerene, graphene and carbon nanoribbons and analyse their band structure plots.