#!/bin/csh # # 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 changed to display -resize # 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 ""