Zeobuilder

Zeobuilder is a user-friendly GUI toolkit for the construction of advanced molecular models (biological, inorganic, reactants in a catalyst, …). The program contains several advanced tools to build, align, manipulate and analyze molecular structures. Most of its novel functionality is based on a hierarchical data-structure of reference frames to represent a molecular structure. Furthermore, Zeobuilder is extensible. The core program is compact and nearly all of the functionality is implemented through a plug-ins.

Documentation | http://molmod.github.io/zeobuilder 

Git repository https://github.com/molmod/zeobuilder 

How to cite | [1] T. Verstraelen, V. Van Speybroeck, M. Waroquier. J. Chem. Inf. Model, 48, pp. 1530-1541 (2008). http://dx.doi.org/10.1021/ci8000748