X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Frefine.sh;h=65f9274c9324538650dbdec6dd5c32202c48c261;hb=9ed732a162468afe926d1982efa882468c5178a3;hp=f004597544ede38b4727db020d46b3b517a21fb8;hpb=79b5efa813414f99e23a4fefa0b360be6b5c17a6;p=django_unres.git

diff --git a/files/refine.sh b/files/refine.sh
index f004597..65f9274 100755
--- a/files/refine.sh
+++ b/files/refine.sh
@@ -35,7 +35,7 @@ $AMBERHOME/bin/tleap -f leap.bat
 
 /users2/local/mmtsb/perl/convpdb.pl -out generic_noh z_tleap.pdb > noh.pdb
 /users2/local/pymol_1.6/pymol -cq /users2/CASP12/EXAMPLES/all-atom/amber_files/dss.py | awk \
-'{ires[NR]=$2;ss[NR]=$3}END{for (i=2;i<=NR;i++) {if (ss[i-1]!=ss[i]&&ss[i-1]=="L") printf "%s;",ires[i];if (ss[i-1]!=ss[i]&&ss[i]=="L") printf "%s;%s\n",ires[i-1],ss[i-1]}}' \
+'{ires[NR]=$2;ss[NR]=$3}END{for (i=2;i<=NR;i++) {if (ss[i-1]!=ss[i]&&ss[i-1]!="L") printf "%s;%s\n",ires[i-1],ss[i-1];if (ss[i-1]!=ss[i]&&ss[i]!="L") printf "%s;",ires[i];}}' \
 > zakresy.csv