Changeset c1fb07

Timestamp:

Oct 19, 2008, 1:59:44 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

4a7a5c, a709c4

Parents:

ae21a39

git-author:

Frederik Heber <heber@…> (10/19/08 13:56:46)

git-committer:

Frederik Heber <heber@…> (10/19/08 13:59:44)

Message:

BUGFIX: SortbyRings now works with current script convertHessian.

File:

• util/src/SortByRings.sh.in (modified) (1 diff)

util/src/SortByRings.sh.in

@@ -50 +50 @@
 lines=(`cat <$file`)
 map=(`cat <MoleculesRingSorted.dat`)
-i=0
+i=1
+echo "${lines[0]}" >>${file}_sorted
 while [ $i -lt ${#lines[@]} ]; do
-        let j=`echo ${map[$i]}  | awk -F" " {'print $1'}`
         #echo "lines: ${lines[$i]}"
         #echo "Map: ${map[$i]} -> $i"
-        name=`echo "${lines[$j]}" | awk -F" " {'print $1'}`
-        echo -e -n "$name\t$i\t" >> ${file}_sorted
-        echo "${lines[$j]}" | sed -e "s#[0-9a-zA-Z,_\-]*\t[0-9]*\t##" >>${file}_sorted
+        let j=`echo ${map[$i]}  | awk -F" " {'print $1'}`
+        name=`echo "${lines[$j]}" | awk -F" " {'print $2'}`
+        echo -e -n "$i\t$name\t" >> ${file}_sorted
+        echo "${lines[$j]}" | sed -e "s#[0-9]*\t[0-9a-zA-Z,_\-]*\t##" >>${file}_sorted
         let i=$i+1
 done