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From: Borries Demeler <demeler@bioc02.uthscsa.edu>
To : rasmb@bbri.harvard.edu
Date: Tue, 7 Oct 1997 21:33:52 -0500 (CDT)
ANNOUNCING: sassoc-0.1
Announcing:
new software for the simulation of self-associating systems
(X11 GUI interface for Linux/Unix). The software can be freely downloaded
from: http://bioc09.uthscsa.edu/.biochem/xla2.html. The source code is
provided. For more information, take a look at the README file attached below.
Regards, -Borries
*******************************************************************************
* Borries Demeler *
* The University of Texas Health Science Center at San Antonio *
* Dept. of Biochemistry, 7703 Floyd Curl Drive, San Antonio, Texas 78284-7760 *
* Voice: (210) 567-6592 Fax: (210) 567-6595 Email: demeler@bioc02.uthscsa.edu *
*******************************************************************************
-------------------------------------------------------------------------------
sassoc-0.1
-------------------------------------------------------------------------------
NAME:
sassoc - the self-associating system simulator (X11 environment)
NOTE:
This is the first alpha release of sassoc covering only the
cases of the reversibly self-associating monomer-dimer, monomer-
tetramer and monomer-dimer-tetramer equilibria. There will be
more changes, features, and models in future releases.
COPYING:
This software is freely distributable, and may be copied or
reproduced, provided credits are given to the author and
this note is copied alongside. Please notify the author of
any changes you make. It is not legal to sell this software
in any way, with the exception of charging for reasonable
copying and distribution costs. The software may not be
compiled under the Microsoft Window system (NT or 95)
without the express permission of the author.
POLICY:
LGPL - for details see the Qt license details.
CREDITS:
The source is heavily based on Troll Tech's QT GUI
library (www.troll.no) and the QWT technical graphics library
from Josef Wilgen (jwlg@mail.desy.de).
DESCRIPTION:
The program will simulate a monomer-dimer-tetramer reversibly
self-associating system and display the distribution of each species
in a graph (green=monomer, yellow=dimer, cyan=tetramer) over a
concentration ranging from 1.0 x 10^-10 molar to 100 molar.
The equilibrium constants for the monomer-dimer equilibrium
and the monomer-tetramer equilibrium can be adjusted in real-time
and the resulting new distribution written to file. The program
will also provide the percentages of each species at any
concentration displayed in the graph by clicking the left
mouse button in the plot area.
The current distribution may be written to a datafile called
"association.data" at any time by pressing the "Write Data to
File" button.
INSTALLATION:
Untar/gunzip the distribution and use "make" to compile.
The QT and QWT libraries are needed and have to be installed
first. See README.QT and README.QWT for details. A statically
linked Linux-elf binary is provided for convenience.
QUESTIONS/COMMENTS:
Send questions and comments to:
Borries Demeler (demeler@bioc02.uthscsa.edu)
DOWNLOADING:
The latest version can always be obtained from the following
site: http://bioc09.uthscsa.edu/.biochem/xla2.html
BUGS:
bold faced font for QButton widget doesn't work under Qt version 1.3,
linking against 1.2 or 1.31 fixes this bug.
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