# Edit this line to be your xplor data processing directory
# cd /usr/people/tutor##/exercise2
#
# Copy your model into the starting 'standard' file
#
cp model.pdb positional.pdb
#
printf ' ********************************************************** \n'
printf ' Individual B refinement 1.9 A\n'
printf ' Input: positional.pdb xplor.fob generate.psf cell.inp \n'
printf ' Output: brefinement.pdb \n'
printf ' ********************************************************** \n'
/eniac/usr/local/xplor3851/object_library/xploron3851_sgi_R8000.exe <  /usr2/tutorials/exercise2/bref-19.inp |tee 21.brefinement.log 
#
printf ' ********************************************************** \n'
printf ' Positional 8 - 1.9 A \n'
printf ' Input: brefinement.pdb xplor.fob generate.psf cell.inp \n'
printf ' Output: positional.pdb \n'
printf ' ********************************************************** \n'
/eniac/usr/local/xplor3851/object_library/xploron3851_sgi_R8000.exe <  /usr2/tutorials/exercise2/posit-19.inp |tee 22.positional.log 
#
printf ' ********************************************************** \n'
printf ' DONE: \n'
printf ' ********************************************************** \n'
#
grep 'R=' 2[0-9].*.log | awk '{ printf" %s \tR-factor= %6.1f \n",$1,100*$7}'