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Introduction

Short descriptions of the programs

From: Bruce D. Ray (bray@iupui.edu)

Date: 21 Sept 2005

Several items:

    1. Several rather simplistic utility programs to generate reports on
    assignments in 2D xeasy format peak lists. (Xeasy format used because of
    ease of coding for it. The reports generated vary in utility. This was
    originally done to evaluate assignments from garant 2.0)
    2. A utility program to create a 2D xeasy format peaks list from the first
    four columns in a tab deliminited file. (Used in conjunction with the next
    program to convert Varian VNMR pks format 2D peak lists to xeasy format.)
    3. A utility perl script to convert Varian (VNMR) pks format 2D peak lists to a
    tab delimited file.
    4. A program for Varian (VNMR) 2D to Azara format conversion with parameters.
Name
Type
Purpose
consider_correl C Label xeasy format 2D correlation assignments file with names in place of xeasy atom numbers and deviations from the shifts given in the xeasy format atoms list (*.prot).
consider_nOe C Label xeasy format 2D nOe assignments file with names in place of xeasy atom numbers and deviations from the shifts given in the xeasy format atoms list (*.prot).
examine C Analyze an assigned xeasy format 2D peak list and generate a list of average shifts with RMS deviations for each of the resonances.
extract_vnmr.pl perl Perl script to extract VNMR pks columns in the given order to a tab delimited file.
label_correl C Label xeasy format 2D correlation assignments file with names in place of xeasy atom numbers.
label_correl_devs C Label xeasy format 2D correlation assignments file with names in place of xeasy atom numbers and deviations from the average shifts for each assigned resonance in the file.
label_nOe C Label xeasy format 2D nOe assignments file with names in place of xeasy atom numbers.
label_nOe_devs C Label xeasy format 2D nOe assignments file with names in place of xeasy atom numbers and deviations from the average shifts for each assigned resonance in the file.
possibilities C Examine an xeasy format 2D assignments file in conjunction with an xeasy format sequence file and an xeasy format atoms file to generate a list of assignment possibilities
for unassigned shifts.
toxeasy C Read first four columns in a tab delimited file and write an xeasy format 2D peaks file.
varian2dtoazara C Create correct Azara format 2D .par and .spc files from a 2D Varian (VNMR) curpar and datdir/phasefile pair.
write_peaks C Label an xeasy format 2D assignments file with names in place of xeasy atom numbers.