Hi,
> I would like to visualize the changes in secondary structure over the
[...]
> change letters for helix, sheet ... in numbers, plot (splot) a 2D-color
> map with gnuplot. The problem here is that I need for each residue an
> extra expression in the splot command, so if I have a 200 residue
> protein this is really a lot of work.
my suggestion involves a bit of extra work but would be likely fast and
powerful. Write a script (perl/python etc.) that reads in your ptraj
secstruct output and prints out a postscript image file directly. This is
actually easier than it sounds, as Postscript files are text only and you
just would need to plot a row of colored (by structure) rectangles per
trajectory frame.
Check e.g.
http://paulbourke.net/dataformats/postscript/
among many good tutorials on how to do something like this.
Kind Regards,
Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854
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Received on Tue Sep 13 2011 - 06:30:05 PDT
