MASP - a computer program for designing small combinatorial libraries
to be analyzed by mass spectrometry
1. Announcement
- 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. It should
be
no problem to compile the program under Windows 3.1(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 Basic (TM) 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 ***
