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sparky-list is a collection of short scripts that are probably not generally useful, which I have used for manipulating sparky peak list files. ------------------------------------------------------------------------------- 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. ------------------------------------------------------------------------------- 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. ------------------------------------------------------------------------------- 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.
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anything handy for tossing around sparky peaklist files
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