DownloadFullFun (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. The code can be compiled and executed on Linux, Mac OS X and Windows (via DOS) operating systems.
The bkcage program for general purposes of generation, identification and nomenclature of fullerene structures. It can print out all all kinds of topological information.
The CSIOpt program predicts the most stable isomers of charged fullerenes and endohedral metallofullerenes.
The XSIOpt program predicts the most stable addition patterns for a given endohedral fullerene C2nX2m.
For downloading FullFun, please go to our new web page:
https://campusys.qui.uam.es/?page_id=1491
Features
- bkcage
- CSIOpt
- XSI
- XSIOpt