Documentation for SPIN program
                     

    The SPIN program calculates NMR spectra for systems of up to 9 spin
1/2 nuclei, given chemical shifts and coupling constants as inputs.


The program spin.exe is a self-contained windows program. It will work
on any version of Windows from 95 upward. There are also versions
available that will work on DOS, Windows 3.1 and Linux.


INSTALLATION INSTRUCTIONS

    Put spin.exe anywhere on your computer, and create a shortcut or
start menu entry to let you run it.

    SPIN does not tamper with your registry or do clandestine things to
your computer. If you want to remove it from your computer, simply
delete the file.

    If your computer crashes while you are running SPIN, you will find a
file named BSPINWIN.EXE in your TEMP directory, and possibly files named
SP@@@xx where xx are numeric digits. You can safely delete these.


RUNNING THE PROGRAM.

    Program operation is mostly self-explanatory. There is an option to
enter chemical shifts in either ppm or Hz. Coupling constants should
always be in Hz. If shifts are in ppm, you have to specify the
spectrometer frequency, in MHz. You can input the data interactively, or
you can make the program read an input file. If you wish to do the
latter, follow the format in the file EXAMPLE.SPN. The input screen has
a series of checkboxes marked Id. If you check one of these, you force
the checked spin to be identical to the previous one.
    
Hardcopy plots are produced in postscript. If you have a postscript
printer, you can send output there directly, otherwise you can create a
file which can be incorporated by a wordprocessor, or printed by a
suitable program such as GHOSTSCRIPT. (Peter Lerup's PRINTFILE program
makes this very easy, and it's freeware). On Windows, you can also copy
to the clipboard and paste to some other program. You can do this as
usual simply by pressing Alt-PrintScreen. If, however, you click the
PlotOut button, the window is re-drawn, so that you will get a black on
white picture with no borders.
    
   Most of the program operations are obvious; certain options having to do
with expanded views may not be:
    
    a) Right after a calculation the full spectrum is shown.
    b) You can specify a region to expand by typing in the Left and
       Right entry boxes, and (left) clicking the Replot button.
    c) You can select a region to expand by draging across it with the
       right mouse button held down.
    d) A right click in the plot area cancels expansion and returns to
       the full plot.
    e) Right clicking on the Replot button returns to the previous
       expansion.
    f) The small buttons with up and down arrows expand and contract the
       spectrum vertically, as do the keyboard up and down arrows.