#!/bin/sh

# Chemical shift list
cp ww_5.prot ww_5d.prot
awk 'NF>=5 { printf("%6d%8.3f%8.3f %-5s%4d\n",$1+1000,$2,$3,$4,$5+100) }' $* ww_5.prot >> ww_5d.prot

# Additional distance constraints
#echo "
#read upl D5.upl
#read lol D5.lol
#molecules symmetrize
#write upl D5dimer.upl
#write lol D5dimer.lol
#quit" | cyana32

# angle constraints
echo "
read ww_5.aco
shift +100
writeaco t.aco
quit" | ancoma
cat ww_5.aco t.aco > ww_5d.aco
rm -f t.aco
