On Thursday 17 July 2008 09:48:08 Shawn Leeds wrote: > Dear all, > > I am trying to generate 2D Ca deviation plots for my superimposed molecules > as needed for publication. I am wondering what is the program of choice for > such a purpose? I tried Lsqkab in CCP4, but wasn't sure what's the most > efficient way of generating good quality 2D deviations plots from the output > table. Would you suggest some solutions on this matter? Thanks!
If you are happy with the table output by lsqkab, then making a publication quality version is as simple as running the following commands through gnuplot: set term postscript eps set output 'devplot.eps' set xlabel 'Residue' set ylabel 'Mainchain deviation' plot 'table.out' using 1:2 with lines title "My Protein" If you specifically want CA deviations rather than mainchain atoms, you can do more or less the same thing by first selecting only the lines for CA atoms in the lsqkab log file. -- Ethan A Merritt Biomolecular Structure Center University of Washington, Seattle 98195-7742
