Embedded Files
Short description of the programs
Date: 31 May 2005
Scripts to extract information, manipulate, or generate cross peak
(.xpk) files in the 'nmrview' (an nmr data viewing, analysis graphical package
by Bruce Johnson).
Also contains the directory xpk2nv w/ Fortran77, C and Perl
codes to simulate, from a given .xpk file, 2d/3d spectra in frequency domain by
modelling the spectra as a collection of non-interacting Gaussian oscillators.
The directory is grouped into subdirectories with mostly Perl scripts,
with some c-shell, awk and a few sed scripts - there are about 225 in all.
The usage information for almost all the scripts can be obtained just by typing
the name of the script (change mode to executable, if that is a valid state; for
e.g., c-shell and perl scripts can be made executable, but it is not meaningful
to do so for awk and sed scripts). Bulk of the remainder of the scripts will
have the usage information written in the code itself (so look at the source
code near the top).
NOTE: some of the scripts may use bmrb chemical shift information (so you
may need to provide that table). there is such a file "bmrb.cs" in the
main directory; but you may wanna use the latest updated table
from bmrb (bioMagResBank). Also, if any of the scripts have the path to
bmrb.cs hard-wired into them, you may have to edit it suitably.
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