Software News and Updates Wordom: A User-Friendly Program for the Analysis of Molecular Structures, Trajectories, and Free Energy Surfaces

MICHELE SEEBER, ANGELO FELLINE, FRANCESCO RAIMONDI, STEFANIE MUFF, RAN FRIEDMAN, FRANCESCO RAO, AMEDEO CAFLISCH, FRANCESCA FANELLI

Abstract: Wordom is a versatile, user-friendly, and efficient program for manipulation and analysis of molecular struc- tures and dynamics. The following new analysis modules have been added since the publication of the original Wordom paper in 2007: assignment of secondary structure, calculation of solvent accessible surfaces, elastic network model, motion cross correlations, protein structure network, shortest intra-molecular and inter-molecular communication paths, kinetic grouping analysis, and calculation of mincut-based free energy profiles. In addition, an interface with the Python scripting language has been built and the overall performance and user accessibility enhanced. The source code of Wordom (in the C programming language) as well as documentation for usage and further development are available as an open source package under the GNU General Purpose License from http://wordom.sf.net.

J Comput Chem 32: 1183–1194, 2011  PMID: 21387345