3 set numstruc = `grep -c ENERGY $file`
4 set numatom = `grep -c ATOM $file`
5 #echo $numstruc $numatom
6 #set numTER = `grep -c TER $file`
7 set numatom = `echo "($numatom / $numstruc)+3" | bc`
8 #set numatom = `echo $numatom | cut -c 1-5`
13 set num1 = `echo $numatom + 1 | bc`
17 echo $i $numstruc $numatom $num1 $num2
20 echo "NUMATOM" $numatom
21 grep -A $numatom ENERGY $file > tempo
23 while ($i <= $numstruc)
25 tail -99999999999 tempo | head -$num2 | tail -$num1 > structur$i.pdb
26 set num2 = `echo $num2 + $num1 +1 | bc`
28 set i = `echo $i+1 | bc`
33 while ($j <= $numstruc)
34 grep -v TER structur$j.pdb > structure$i.pdb
35 grep " A " structure$i.pdb > structure${i}a.pdb
36 egrep " B | C " structure$i.pdb > structure${i}b.pdb
37 /users2/vetinari/pulchra306/pulchra -q -f -g structure${i}a.pdb
38 /users2/vetinari/pulchra306/pulchra -q -f -g structure${i}b.pdb
40 cat structure${i}a.rebuilt.pdb TER structure${i}b.rebuilt.pdb > structure${i}.pdb
42 set i = `echo $i+1 | bc`
43 set j = `echo $j+2 | bc`
44 rm structur$i.pdb structure$i.pdb structure${i}a.pdb structure${i}b.pdb structure${i}a.rebuilt.pdb structure${i}b.rebuilt.pdb