CCL Home Page
Up Directory CCL hingefind
#!/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

Modified: Mon Sep 18 16:00:00 1995 GMT
Page accessed 5250 times since Sat Apr 17 21:34:38 1999 GMT