From 79b5efa813414f99e23a4fefa0b360be6b5c17a6 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Sun, 17 Sep 2017 17:47:02 +0200 Subject: [PATCH] refine dss.py error --- files/refine.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/files/refine.sh b/files/refine.sh index c039354..f004597 100755 --- a/files/refine.sh +++ b/files/refine.sh @@ -34,7 +34,7 @@ EOF $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_refine/dss.py | awk \ +/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]}}' \ > zakresy.csv -- 1.7.9.5