From: STEVE HARDING <sczsteve@szn1.agric.nottingham.ac.uk>
  To  : rasmb@bbri.HARVARD.edu
  Date: Thu, 1 Jan 1998 16:33:08 GMT0BST

A happy elliptical new year

Happy new year to RASMBers

This is a good opportunity for me to sort out some problems a number of 
users have been experiencing in downloading the ELLIPS suite of 
algorithms from the RASMB software database: the ELLIPS
programmes are located at:

ftp://bbri.harvard.edu/rasmb/spin/ms_dos/ellips-harding/

Although ELLIPS1 (written in QUICKBASIC) 
downloads and runs with no probs, there have been problems 
downloading the FORTRAN support software for the other 3 "triaxial" 
programmes (ELLIPS2,3 4) necessary for the serious number crunching
necessary: unfortunately this software clearly doesn't survive the internet 
route and compression/expansion of files etc.

So:

***Those wanting these programmes can either download the ELLIPS 
programmes from the WEB page and then get the support disk from me, 
or probably the best way is to get both disks(which cointain all the 
programmes and support software necessary, and should be easy
to install)  with  full instructions for use directly from me (gratis 
of course) - just drop me an email giving your full postal address.***

As a brief reminder what these programmes do:
The ELLIPS Programms (ELLIPS1, ELLIPS2, ELLIPS3, ELLIPS4) are a 
suite of four programs written for PC (486 or higher) for
ellipsoidal representations of macromolecular shape in solution
for quasi-rigid particles based on hydrodynamic measurement of
"Universal" shape functions which are derived from the
sedimentation coefficient, intrinsic viscosity, radius of
gyration, molecular covolume and rotational hydrodynamic/
relaxation functions (from electro-optic decay, fluorescence
anisotropy depolarisation decay or NMR).

A full description of the Universal shape functions and the 4
programs are found in: Harding SE, Horton JC, Coelfen H (1997) The
ELLIPS suite of macromolecular conformation algorithms, Eur.
Biophys. J. 25: 347-359, and this paper MUST be consulted before
use of the programs are attempted.  This paper also describes how
the Universal shape functions can be calculated from the
experimental hydrodynamic parameters.

[The hydrodynamic theory behind the calculation of the shape
functions is exact.However, for those (quasi-rigid) macromolecules
which cannot be reasonably represented by ellipsoids, the user is
advised to use instead the Program SOLPRO, described in J. Garcia
de la Torre, B. Carrasco-Gomez and S.E. Harding (1997) Eur.
Biophys. J. 25, 361-372, which is based on modelling the particle
as, and approximating the hydrodynamics by, a multi- array of
spherical beads.  The ELLIPS and SOLPRO programmes are designed to
be entirely complementary]

ELLIPS1:  QUICKBASIC algorithm based on a simple ellipsoid of
revolution model. It predicts the axial ratio (a/b) of the equivalent
prolate or oblate ellipsoid of revolution from a user specified
shape function

ELLIPS2:  FORTRAN77 algorithm based on general triaxial ellipsoid
model.  Evaluates the values of all the hydrodynamic shape
functions from user specified values for the semi-axial
dimensions (a,b,c) of a macromolecule or the axial
ratios (a/b, b/c).  [Works also for ellipsoids of
revolution, just set c=b or b/c = 1 for a prolate
ellipsoid, or c=a or a/b = 1 for an oblate ellipsoid. 
It can also be linked to a programme (ELLIPSE) written for the prediction
of the (a,b,c) from a crystallographic structure [Taylor
WR, Thornton JM, Turnell WG (1983) An ellipsoidal approximation of protein 
shape, J. Mol. Graphics 1, 30-38]

ELLIPS3:  FORTRAN77 algorithm based on general triaxial ellipsoid
model. Evaluates the molecular shape (a/b, b/c) from combinations of 
hydration independent shape functions.  Two types
depending on User's preference for output: ELLIPS3p
sends the output to the screen ELLIPS3o sends the output
to a printer.

ELLIPS4:  FORTRAN77 algorithm based on general triaxial ellipsoid
model.  Evaluates the molecular shape (a/b, b/c) from
electro-optic decay parameters combined with other
hydrodynamic data.  

 ------------------------------------------------------------------
Hardware requirement.
486 or higher PC
 ------------------------------------------------------------------


Further information can be found on the instruct.txt file on the WEB 
page

All the best

Steve Harding