#!/bin/csh # Shell script to run hingefind.inp # Part of the 'Hingefind' distribution # This software is copyrighted, (c) 1995, by Willy Wriggers under the # terms of the legal statement in the distribution. # The script compairs pairs of the cases below, with the order of the two cases # as in $cases1. # A range of resolutions can be specified: $reso is the percentage of the # tolerance relative to the initial rmsd (for automatic partitioning). set cases1 = "KAD LOR CDC" set cases2 = `echo $cases1` set reso = 70 while ( $reso <= 100 ) foreach case1 ($cases1) set cases2 = `echo $cases2 | sed -e s/$case1//` foreach case2 ($cases2) echo 'evaluate ($tolperc = '$reso')' > casefile echo 'evaluate ($case1 = "'$case1'")' > casefile1 echo 'evaluate ($case2 = "'$case2'")' > casefile2 xl < hingefind.inp > /dev/null end end @ reso = $reso + 10 set cases2 = `echo $cases1` end