From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Thu, 14 Sep 2017 22:03:21 +0000 (+0200)
Subject: refine correction
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=21ae5a902db0c959e70cc154ff73e280d1fe2b79;hp=53f1728daa2b4d8d67349c048822ccd04e819d48;p=django_unres.git

refine correction
---

diff --git a/files/refine.sh b/files/refine.sh
index 88e6b69..e7e3b4a 100755
--- a/files/refine.sh
+++ b/files/refine.sh
@@ -9,7 +9,7 @@ ln -s $1 tmp1.pdb
 $AMBERHOME/bin/tleap -f /users2/CASP12/EXAMPLES/all-atom/amber_files/leap.bat
 
 /users2/local/mmtsb/perl/convpdb.pl -out generic_noh z_tleap.pdb > noh.pdb
-/users2/local/pymol_1.6/pymol -cq /big/appl/amber_refine/dss.py | awk \
+/users2/local/pymol_1.6/pymol -cq /users2/CASP12/EXAMPLES/all-atom/amber_refine/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