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S Chandra Shekar NMRView scripts
Up one levelScripts 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.
- Introduction by Wayne Boucher — last modified 2007-01-04 16:34
- Short description of the programs.
- Readme by Wayne Boucher — last modified 2007-01-04 16:41
- Detailed description of the programs.
- Download by Wayne Boucher — last modified 2007-01-04 17:39
- Download the programs.
Ph.D. in protein NMR spectroscopy
CCPN General Meeting