ftp.nice.ch/pub/next/science/chemistry/fdc-esr.1.13.README

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fdc-esr.1.13
============

FDC-ESR 1.13 is a electron spin resonance spectrum simulation program 
which is suited to first order isotropic spectra with constant 
linewidths . The present version does not support mixture of radicals 
and second order effects .

The program is very fast:  on a 25 MHz NeXTStation, a stick spectrum 
with more than 27000 lines can be calculated in 1 second ! 


New features since version 1.01 (IBM PC, Atari ST) originally 
distributed through Tetrahedron Computer Methodology are:

* Gauss / cm ratio : change of the horizontal scale
* Ease of editing coupling constants - plotting sequence
* Up to 99 equivalent nuclei in one set.
* Enhanced overflow management. 
* Better postscript output.

** Oversampling : when plotting a complex ESR spectrum on a low 
resolution graphic device (e.g. screen),  the plot may look 
differently than on a high resolution device like a plotter or laser 
printer.  To diminish this effect, FDC-ESR can calculate the spectrum 
with a higher resolution internally and then reduce the resolution by 
taking the mean heights of a selected number of points. 


A NeXT version is now available. It does not use the nice NeXTstep 
user interface. However, spectra are displayed in a window.  A 
NeXTStep Intel version will be available on request. A Sun version is 
also planned.

Bruno Bienfait
Email : marevm @ BUCLLN11.bitnet 

These are the contents of the former NiCE NeXT User Group NeXTSTEP/OpenStep software archive, currently hosted by Netfuture.ch.