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From: STEVE HARDING <sczsteve@szn1.agric.nottingham.ac.uk>
To : rasmb@bbri.harvard.edu
Date: Thu, 3 Jul 1997 09:05:37 GMT0BST
(Fwd) Re: hollow cylinders
Dear Julius
I agree with Allen Minton's reply to you re; the hollow bit doesnt
matter re: the virial coefficient. The cylinder is a limiting form
of a general ellipsoid, the formulae worked out by Rallison & myself
(J. Coll. Int. Sci. 1985, 103, 284-289). It is available in the form
of a PC programme COVOL which we are just about to lodge on the RASMB
database. It requires an estimate for the hydration of the
macromolecule, molecular weight and aspect ratio. If charge
contributions aren't adequately supressed you need to enter the charge(valency) Z
(found by titrtaion - see e.g. Jeffrey
et al, J.Phys.Chem 1977, 81, 776) and the ionic strength in mol/ml
Like everything else, it assumes dilute solution behaviour (i.e. the effects of
simultaneous encounters between 3 or more particles are negligible),
the particles are rigid and Brownian.
There is a similar programme already out (ELLIPS2 - should also be on
the database by now) which works out
the frictional ratio due to shape (we call the Perrin function P) for
user specified semi-axial dimensions a,b,c (set b=c for a cylinder).
along with a whole host of weird and wonderful functions. The Garcia
de la Torre routine SOLPRO does the same for bead models (i.e. you
model your cylinder as a composite array of beads)..
ELLIPS: Eur. Biophys. J. 25 (1997) 347
SOLPRO ibid, 361
Hope this helps
Steve Harding
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