Ribbons --- Xplor-ation

	
	Conversion of Xplor data into *.ss format.

	X-PLOR is run do determine a given property by residue.
	For example, the RMS shifts between two structures,
	the average temperature factors, the accessible surface area,
	or the strain energy.   The abbreviated listing files are
	then processed to assign a 1-letter code 'score' for
	coloring in ribbons.
	You must create one list file per peptide chain for
	compatability with ribbons.  The '*_psf.inp' files in the
	examples are like the Xplor 'xprepare.inp' files without
	the X-ray data.


	Example input files for X-plor:

		file		usage
		---------	-------------
		resi_rms.inp	root-mean-square shifts per residue
		resi_geom.inp	energy of bonds, angles, and dihedrals
		resi_bf.inp	average temperature factors
		resi_surf.inp	sum of surface area



	Creation of the individual property/assignment files:

		awk -f X_rms.awk   < X_rms.list   > rms.s 
		awk -f X_geom.awk  < X_geom.list  > geom.s 
		awk -f X_bf.awk    < X_bf.list    > bf.s 
		awk -f X_surf.awk  < X_surf.list  > surf.s



	Creation of an *.ss file:

		paste pro-orig.ss *.s > pro-new.ss

	    The file pro-orig.ss was made with the standard ribbon
	    utilities pdb-pro-ss followed by pdb-rama-ss.


	All at once:

		X-geom-ss protein.ss X_geom.list
		X-rms-ss protein.ss X_rms.list
		X-bf-ss protein.ss X_bf.list

	    The scripts above have been placed in the ~ribbons/bin directory
	    that do the two steps above, adding the column of X information
	    to the existing *.ss file.


	Color-coding:

	    The assigned grade is 'A' thru 'F'. 
	    The file 'X.color' gives a mapping of cold thru hot
	    (or wet thru dry).