saxs input data normalization and plot for input pdb

[django_unres.git] / files / pbs8.csh

diff --git a/files/pbs8.csh b/files/pbs8.csh
index 82e7143..f413281 100755 (executable)
--- a/files/pbs8.csh
+++ b/files/pbs8.csh
@@ -78,16 +78,21 @@ end
 
 /users2/local/pymol_1.6/pymol -c ../files/model.pml
 
-awk '{printf "%s%s%s\n",substr($0,0,21)," ",substr($0,23)}' plik.pdb > tmp.pdb
-/users2/local/mmtsb/perl/convpdb.pl -renumber 1 -out generic tmp.pdb > plik1.pdb
-rm tmp.pdb
-
-/users2/local/bin/tmscore MODEL1.pdb plik1.pdb > tmscore1.out
-/users2/local/bin/tmscore MODEL2.pdb plik1.pdb > tmscore2.out
-/users2/local/bin/tmscore MODEL3.pdb plik1.pdb > tmscore3.out
-/users2/local/bin/tmscore MODEL4.pdb plik1.pdb > tmscore4.out
-/users2/local/bin/tmscore MODEL5.pdb plik1.pdb > tmscore5.out
-rm plik1.pdb
+if ( `grep -c pdbref file.inp` ) then
+ awk '{printf "%s%s%s\n",substr($0,0,21)," ",substr($0,23)}' plik.pdb > tmp.pdb
+ /users2/local/mmtsb/perl/convpdb.pl -renumber 1 -out generic tmp.pdb > plik1.pdb
+ rm tmp.pdb
+
+ /users2/local/bin/tmscore MODEL1.pdb plik1.pdb > tmscore1.out
+ /users2/local/bin/tmscore MODEL2.pdb plik1.pdb > tmscore2.out
+ /users2/local/bin/tmscore MODEL3.pdb plik1.pdb > tmscore3.out
+ /users2/local/bin/tmscore MODEL4.pdb plik1.pdb > tmscore4.out
+ /users2/local/bin/tmscore MODEL5.pdb plik1.pdb > tmscore5.out
+ if (-e saxs.data) then
+  awk -f ../files/saxs_dist.awk plik1.pdb > plik_saxs.data
+ endif
+ rm plik1.pdb
+endif
 
 if (-e saxs.data) then
 awk -f ../files/saxs_dist.awk MODEL1.pdb > MODEL1_saxs.data