[RASMB] MacBEADS software + Pro Fit interface

[Arthur Rowe]

Greetings RASMBers -

Our MacBEADS 1.0.1 software, presented recently at the AUC-HYDRO Conference
in Autrans, is now up on the RASMB FTP site, in the Mac software folder.
Also included are the MacBEADS Users Manual, some demo files, and a folder
giving details of how to get hold of the pro Fit software which is used to
add colour,  3D rendering, manipulation and movie capability to MacBEADS.

Coming soon will be a tutorial, complete with movie clips (like - the ones
which I carelessly restricted to 1 frame only for my Autrans talk . . . .
But better, and more informative).

What is MacBEADS ? 

MacBEADS is a utility for hydrodynamic bead modelling which enables one to:

(1) create bead models from scratch, specifying radius + coordinates (X,Y,Z)
for each bead, or

(2) import bead models created by other software, in particular ones created
from atomic coordinates (PDB files)

(3) manipulate models in a range of ways, translating/rotating in/around
fixed axes. Of particular use is the ability to 'grab' any part of the bead
model (mouse control) and detach it, manipulate it, re-attach it, modify it,
whatever

(4) MacBEADS files as saved from all of these manipulations are simple text
files, which can optionally have a 'tailpiece' giving details of the
particle name, vbar etc. These output files are simple to edit, ready for
submission to HYDRO or whatever other software one fancies for computing s
values etc.

What does the pro Fit interface provide ?

MacBEADS does most of what one needs to do - but it is a B/W utility, with
2D views (from any angle, OK, but still very 'flat' to look at).

The latest version of pro Fit curve-fitting and plotting software  has a
PLOT 3DXY module which can take the information in a MacBEADS output
textfile and display it in simulated 3D. One can then use the mouse to drag
is around in any desired way, put colour-coding onto the beads, all a bit
like RASMOL, say. One can also make movies of the model rotating, from any
defined viewpoint.  One can do the usual 3D representational things, balance
specular/diffuse reflectivity, assign variable transparency to
beads/selected beads, generally have fun !

More seriously, if one is looking to clip off bits of the model in MacBEADS,
the pro Fit display enables one to see the sort of angular translations
necessary for good clipping.

What hardware is needed ?

For MacBEADS, any Mac with OS 7.0 onwards will do, although with an older
Mac might be a bit slow when manipulating large bead models. Any iMac is
just fine, of course.
For the use of pro Fit, OS 9.1 is needed - and really for pulling around
large 3D models a modest amount of speed and RAM are called for.

Regards to all

Arthur

--
*******************************************************
Arthur J Rowe
Professor of Biomolecular Technology
NCMH Business Centre
University of Nottingham
School of Biosciences
Sutton Bonington
Leicestershire LE12 5RD   UK

Tel:        +44 (0)115 951 6156
            +44 (0)116 271 4502
Fax:        +44 (0)115 951 6157
email:      arthur.rowe at nottingham.ac.uk
            arthur.rowe at connectfree.co.uk (home)
Web:        www.nottingham.ac.uk/ncmh/business
*******************************************************


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