Vol 32: Wordom: A User-Friendly Program for the Analysis of Molecular Structures, Trajectories, and Free Energy Surfaces.Reportar como inadecuado



 Vol 32: Wordom: A User-Friendly Program for the Analysis of Molecular Structures, Trajectories, and Free Energy Surfaces.


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This article is from Journal of Computational Chemistry, volume 32.AbstractWordom is a versatile, user-friendly, and efficient program for manipulation and analysis of molecular structures 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. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011



Autor: Seeber, Michele; Felline, Angelo; Raimondi, Francesco; Muff, Stefanie; Friedman, Ran; Rao, Francesco; Caflisch, Amedeo; Fanelli, Francesca

Fuente: https://archive.org/







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