title: Program fullerene: a software package for constructing and analyzing structures of regular fullerenes.
abstract: Fullerene (Version 4.4) is a general purpose open-source program that can generate any fullerene isomer, perform topological and graph theoretical analysis, as well as calculate a number of physical and chemical properties. The program creates symmetric planar drawings of the fullerene graph and generates accurate molecular 3D geometries by way of force-field optimization, serving as a good starting point for further quantum theoretical treatments. It includes a number of fullerene-to-fullerene transformations, such as Goldberg-Coxeter transforms, Stone-Wales transforms, Endo-Kroto, Yoshida-Fowler, and Brinkmann-Fowler vertex insertions. The program is written in standard Fortran and C++ and can easily be installed in a Linux or UNIX environment.
authors.affiliation: Centre of Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, Auckland 0745, New Zealand. p.a.schwerdtfeger@massey.ac.nz
authors.forename: Peter
authors.initials: P
authors.lastname: Schwerdtfeger
authors.forename: Lukas
authors.initials: L
authors.lastname: Wirz
authors.forename: James
authors.initials: J
authors.lastname: Avery