# Project: MoleCuilder # # heber@ins.uni-bonn.de MoleCuilder ... is a tool that started as a mean to edit pcp configuration files (adding/ removing groups of atoms, measuring bond lengths and so forth), grew forth into a many-body fragmentation test base of a new method coined BOSSANOVA (Bond Order diSSection in an ANOVA (ANalysis Of VAriance) - like fashion). It spilled out configuration files for each fragment and included joining and analyzing programs, to put together the partial energies and forces of each fragment to the total energy and forces. Since then it has evolved into a complete toolbox for creating molecular systems and worlds. INSTALLATION NOTES ================== The following packages are needed * GCC or alike * GSL (GNU Scientific Library, available at http://www.gnu.org/software/gsl) * Boost 1.4 or newer LINKS ===== [1] http://www.ins.uni-bonn.de/