spscan

Ralf W. Glaser

Friedrich-Schiller-University Jena
Dornburger Str. 23
D - 07740 Jena
Germany
E-mail:

SPSCAN is a program for the semi-automatic evaluation of high-resolution NMR spectra of biological macromolecules.


November 2007: The program is now about 12 years old and has not been maintained for many years. I do not recommended to use SPSCAN as a general tool for NMR spectra evaluation. Better software is available by now. In fact it is not advisable to have a look at this software, except for the following: March 2002: SPSCAN sourcecode is now available under the GNU General Public Licence

This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

This program is distributed in the hope 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.


Spscan comes with a comprehensive manual in html format. A part of the manual also covers the internal functions of the program, and helps to modify the program and insert new functions.

see:

SPSCAN MANUAL

Copyright (C) 1994-2002 Ralf W. Glaser

SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. Development of the program was started in the laboratory of Prof. Kurt Wüthrich at ETH Zürich under grant Gl 237/1-1 of the Deutsche Forschungsgemeinschaft.
Input and output formats are compatible with XEASY (Ch. Bartels, T.-H. Xia, M. Billeter, P. Güntert and K. Wüthrich (1995) The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. J. Biomolecular NMR 5, 1-10). SPSCAN also reads spectra in NMRPipe and Bruker (2rr, 3rrr) formats. All output is compatible with DYANA.

For a short introduction to the program I recommend to read an unpublished manuscript, which you can download as PDF file manuscript.pdf (8 pages).

Who needs SPSCAN ?

SPSCAN is the recommended program to: For these problems the tools and routines have been well tested. However, SPSCAN provides much more than that.

What makes SPSCAN different from other NMR evaluation programs ?

Availability

SPSCAN sourcecode, Release 1.1.0 is available under the GNU General Public Licence. You can download the code from http://www.uni-jena.de/~b1glra/spscan/download/

Hardware required

Executables are available for Linux and IRIX 6. SPSCAN is expected to compile on any UNIX with X11 and a C++ compiler that supports exception handling.

Installation

is simple. The program consists of a single executable. It needs a few libraries and macros. The path to find those and other configuration information is taken from a file ~/.Spscan. In addition, you can put a .Spscan file in the working directory, in order to set project-specific paths.

Stability

Admittedly, spscan is not amongst the most stable programs. Only the frequently used routines are well debugged. A number of rarely used routines work only in a special context, and may simply crash if things are done in the "wrong" order.