ANNOUNCEMENT: MASP (Software, Combinatorial Libraries, Mass Spectrometry)

[Christoph Steinbeck]

MASP - a computer program for designing small combinatorial libraries
to be analyzed by mass spectrometry

1. Introduction

- If you are working with combinatorial libraries and you have access
to an electrospray or MALDI-TOF mass spectrometer, here is the 
tool that you need to shed light on your selection experiments. - 

The Richert Research Group at Tufts University releases MASP, a 
computer program calculating mass spectra, and searching structure
space for libraries that can be exhaustively analyzed by soft-ionization
mass spectrometry.  
MASP generates predictions for spectra independent of what your 
building blocks are, provided that your library is of limited size.  
It screens possible combinations of building blocks to identify
libraries
that show minimal or no peak overlap in mass spectra.  Now, you can 
analyze your selection experiments on the level of individual components
by acquiring mass spectra.  
MASP runs on PC platforms featuring MS Windows 95/Windows NT. You are
free
to compile the program for Windows 3.1

2. Program availability

MASP is free software, provided that you use, redistribute and/or modify 
it under the terms of the GNU General Public License as published by the
Free Software Foundation (version 2 of the License, or later version).
MASP is citeware. If you use it, we request that you to cite our
publication as shown below [1] (or the full citation after the article
has appeared)
in any of your resulting publications.  
This program is distributed hoping that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. 
See the GNU General Public License for more details. Please refer to 
the file "license.txt" which is part of this distribution of MASP.
We encourage you to use the source code (available on our home page),
modify and improve it and make it available to the scientific community.
The program has been developed under MS Visual BasicTM 4.0 and we 
believe that it can easily be improved and extended.

3. Download the program and the source code

The program and its source code is available on
http://www.tufts.edu/~csteinbe/masp.html
Download MASP_1.0_exe.zip to get the program itself. MASP_1.0_source.zip
contains the content of our development directory. We just swept the
stuff together and zipped it :-)

4. References

[1] C. Steinbeck, K. Berlin, and C. Richert, MASP - a program predicting
mass spectra of combinatorial libraries, submitted for publication. 

[2] K. Berlin, R. K. Jain, C. Tetzlaff, C. Steinbeck and C. Richert,
Spectrometrically monitored selection experiments: quantitative laser
desorption mass spectrometry of small chemical libraries, submitted for
publication.  

-- 
Dr. Christoph Steinbeck - PGP available on my homepage
mailto:stein at microvirus.chem.tufts.edu  - 
http://www.tufts.edu/~csteinbe/
Dep. of Chemistry, Tufts Univ., 62 Talbot Ave., Medford, MA 02155, USA
Phone: int + (617) 627-3881      FAX: int + (617) 627-3443

      *** Windows 95 - from the people who brought you edlin ***