[RASMB] Software for hydrodynamics and AUC

[JOSE GARCIA DE LA TORRE]

Dear colleagues,
I am glad to announce the release of some software, related to hydrodynamics and analytical ultracentrifugation (AUC), that may be of your interest. You can download the packages from: https://leonardo.inf.um.es/macromol
Ellipcylin contains simple tools to calculate hydrodynamic properties of cylinders (from long rods to thin disks). Worm-1 and Worm-2 are intended for prediction of properties of wormlike chains, covering the full rang from short rods to long flexible chains. They were presented in our article  "Hydrodynamic properties of biomacromolecules and macromolecular complexes: concepts and methods. A tutorial mini-review", Journal of Molecular Biology, 432, 2930-2948 (2020).
Hydro2D, a package described in "Calculation of the friction, diffusion and sedimentation coefficients of nanoplatelets of arbitrary shape", Polymer, 262, 125467 (2022), is for the calculation of properties of rigid, flat nanoparticles using a particular implemention of bead-modelling procedures that is applicable to such essentially two-dimensional objects.
Simused47 is a software package for AUC calculations described in our publication "Prediction and analysis of analytical ultracentrifugation experiments for heterogeneous macromolecules and nanoparticles based on Brownian dynamics simulation" in European Biophysics Journal, 47, 845-854 (2018). Diverse circumstances over the past years caused a long delay in the distribution of these programs; we have now made an effort to release a working version of SimuSed47 with occasion of the 26 th. Intnl. Conf. on AUC to be hold in Banz Abbey, Germany, July 22-27, 2024.

Except in very few special cases, all these packages contain the source code of the programs, along with user guides, compiled executables, examples, etc.

In the hope that these contributions may be useful for your research, and with my best regards,

José García de la Torre.
Department of Physical Chemistry
University of Murcia, Spain.

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