Single-HYDFIT, Multi-HYDFIT and HYDROFIT

Version 3, September 2011

Single-HYDFIT and Multi-HYDFIT are computer programs intended to analyze and interpret experimental data of solution properties of macromolecules in terms of simple but useful models, such as rigid ellipsoids or cylinders (rods or disks) and semiflexible, wormlike chains.

New advances have made recently in the field of global fitting. These are:

1. A new program, HYDROFIT, which adapts this strategy to calculations made with any of the programs in the HYDRO suite. See:
   • D. Amorós, A. Ortega, S. E. Harding and J. García de la Torre. "Multi-scale calculation and global-fit analysis of hydrodynamic properties of biological macromolecules: determination of the overall conformation of antibody IgG molecules". European Biophysics Journal 39, 361-370 (2010).
   • A. Ortega, D. Amorós, J. García de la Torre, "Global fit and structure optimization of flexible and rigid macromolecules and nanoparticles from analytical ultracentrifugation and other dilute solution properties" Methods 54, 115-123 (2011).
2. New computational results for wormlike macromolecules, implemented in the MultiHYDFIT program. See:
   • D. Amorós, A. Ortega and J. García de la Torre, "Hydrodynamic properties of wormlike macromolecules: Monte Carlo simulation and global analysis of experimental data", Macromolecules 44, 5788-5897 (2011).

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