awk '{printf "%s%s%s\n",substr($0,0,21)," ",substr($0,23)}' plik.pdb > tmp.pdb
if ( -f "plik1ter.pdb" ) then
grep -v TER plik1ter.pdb | awk '{printf "%s%s%s\n",substr($0,0,21)," ",substr($0,23)}' > tmp.pdb
+ /users2/local/mmtsb/perl/convpdb.pl -setchain A -renumber 1 -out generic_noh plik.pdb |grep ATOM > plik1chain.pdb
+ /users2/local/mmtsb/perl/convpdb.pl -setchain B -renumber 1 -out generic_noh plik2.pdb |grep ATOM >> plik1chain.pdb
+ foreach i (`seq 1 5`)
+ sed /TER/q MODEL$i.pdb_ > tmp1.pdb
+ /users2/local/mmtsb/perl/convpdb.pl -setchain A -renumber 1 -out generic_noh tmp1.pdb |grep ATOM > MODEL${i}chain.pdb
+ sed '0,/TER/d' MODEL$i.pdb_ > tmp2.pdb
+ /users2/local/mmtsb/perl/convpdb.pl -setchain B -renumber 1 -out generic_noh tmp2.pdb |grep ATOM >> MODEL${i}chain.pdb
+ rm tmp1.pdb tmp2.pdb MODEL$i.pdb_
+ ../files/DockQ.py MODEL${i}chain.pdb plik1chain.pdb > dockq_$i.out
+ end
+
endif
/users2/local/mmtsb/perl/convpdb.pl -renumber 1 -out generic tmp.pdb > plik1.pdb
rm tmp.pdb