README

sparky-list is a collection of short scripts that are probably not generally useful, which I have used for manipulating sparky peak list files.
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comparecolumns.py reads two sparky peaklists, extracts the requested
columns from each, and aligns them according to residue number and atom.
Missing values are replaced by 0 or another user-specified symbol.
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list2excel.py reads a sparky peaklist and reformats it from
a whitespace-delimted file to a CSV file. It also splits the
assignment column into 3 columns: amino acid letter, residue
number, and atoms.

list2excel.py also reads a list of residues to exclude and
a list of atoms to keep, and prints all lines corresponding
to excluded residues or unkept atoms at the bottom of the file.

For example,

list2excel.py -i HSQC.list -x 1252 1281 -k N-H

outputs HSQC.csv, with lines corresponding to residues 1252
and 1281 moved to the bottom, along with any sidechain peaks.
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simulateSpectrum.py
Read in a sparky peaklist file, and output a scatterplot showing
peak positions, with the area of each marker proportional to the
height of the peak.