MOLECULAR WEIGHT

MOLECULAR SHAPE

MOLECULAR NON-IDEALITY

MSTAR

Program for evaluating the weight average molecular weights of macromolecules (proteins, polysaccharides, glycoconjugates, synthetic polymers) from sedimentation equilibrium data based on the Creeth-Harding M* function.  Particularly useful for heterogeneous systems and does not require the assumption of a model.  The discouraged practice of baseline flotation is not allowed. MSDos version of 2000.

A new version "SEDFIT-MSTAR" which will be linked with the "SEDFIT" algorithm of P. Schuck and coworkers, will be available by December 2012

ELLIPS

Representation of the overall shapes of proteins in solution as ellipsoids of revolution or general tri-axial ellipsoids*.  Deals with the problems of hydration and model non-uniqueness.

Windows XP version

* For non-regular shaped macromolecules the bead modeling and flexible linear structure algorithms of the Physical Chemistry Group, Murcia are recommended

COVOL

Prediction of the thermodynamic second virial coefficient from the size, shape and charge of a protein.

Based on Rallison-Harding theory for pairwise excluding volume interactions in dominant Brownian motion