#!/bin/bash
#
# Thermal ellipsoid representations
# GM1-pentasaccharide from a complex with the cholera toxin B-pentamer
# refined with anisotropic displacement parameters at 1.25A resolution 
#
# Warning:  display -geometry <foo>  changed to display -resize <foo>
#	    in an attempt to hit the ever-moving target of ImageMagick syntax
#
rm -rf setup.angles setup.matrix temp.tmp
#
rods                   < sugarG.pdb | render | display -resize 50%x50% -geometry +0+0   -title GM1-OS png:- &
sleep 3
#
rastep                 < sugarG.pdb | render | display -resize 50%x50% -geometry +350+0 -title "50% probability" png:- &
sleep 3
#
rastep -fancy2 -prob 30< sugarG.pdb | render | display -resize 50%x50% -geometry +700+0 -title "fancy2 30% probability" png:- &
sleep 3
#
rastep -fancy3         < sugarG.pdb | render | display -resize 50%x50% -geometry +0+350 -title "fancy3" png:- &
sleep 3
#
rastep -Bcolor 6. 26. < sugarG.pdb | render | display -resize 50%x50% -geometry +350+350 -title "colored by B value" png:- &
sleep 3
#
rastep -fancy6 -Bcolor 6. 26. < sugarG.pdb | render | display -resize 50%x50% -geometry +700+350 -title "fancy6 for ORTEP lovers" png:- &
sleep 3
#
echo ""
echo ""
echo "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%"
echo ""
echo "In a minute you should have 6 windows in the upper left of your display,"
echo "illustrating different thermal ellipsoid options in the rastep program."
echo ""
echo "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%"
echo ""
