Plotting an XPLOR translation function without Mathematica
rvenable at deimos.cber.nih.gov
Wed Jun 26 22:58:54 EST 1996
On 26 Jun 1996 17:24:38 GMT Ethan A Merritt suggested:
> A much better answer would be to use the free program gnuplot, but
> this would require more substantial editing of the XPLOR output file.
> I have modified XPLOR to produce gnuplot files directly (rather
> than Mathematica files) for many things, but translation function output
> isn't one of the ones I have done. Still, it wouldn't be that hard to
> do if you are so inspired... Just find the WRITE statements following
> the line "C write TF 3-d-matrix" in XPLOR source file tsearch.s and
> change them to write out gnuplot-compatible data instead.
> gnuplot is available via anonymous ftp from dartmouth.edu/pub/gnuplot/
Another alternative is the freely available PGPLOT subroutine library from
the Cal Tech Astronomy Dept.; for anyone comfortable working in Fortran,
a short program can perform any required data format transformations, and
then plot the data all in one process. I've just begun using it for looking
at data derived from MD and Langevin simulations done with CHARMM, and find
many of the features of the library (log scaling, contouring and imaging of 2-D
data arrays, histograms of binned or unbinned data) to be quite useful. For
more details, see
I should add that it supports X11, PostScript, and a broad variety of other
devices, and has been widely used in the astronomy community for preparing
figures for publication.
Rick Venable =====\ |=| "Eschew Obfuscation"
FDA/CBER Biophysics Lab |____/ |=|
Bethesda, MD U.S.A. | \ / |=| ( Not an official statement or
rvenable at deimos.cber.nih.gov \/ |=| position of the FDA; for that,
http://nmr1.cber.nih.gov/venable.html |=| see http://www.fda.gov )
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