# HG changeset patch
# User deepakjadmin
# Date 1452147801 18000
# Node ID 79ae5df9a27ebf32a336ea77121c8cd315395b4e
# Parent  504061c1f8128971ac642a72b09c55dfb81bdb10
Uploaded

diff -r 504061c1f812 -r 79ae5df9a27e padelnew.xml
--- a/padelnew.xml	Thu Jan 07 01:19:12 2016 -0500
+++ b/padelnew.xml	Thu Jan 07 01:23:21 2016 -0500
@@ -11,10 +11,10 @@
 #if '.smi' in $input.name
 /bin/mkdir $input.extra_files_path;
 ln -s $input $input.extra_files_path/molecule.smi;
-/usr/bin/java -jar \$PADEL_PATH/testpadel/PaDEL-Descriptor.jar -dir $input.extra_files_path/molecule.smi -2d $detectaromaticity $removesalt $standardizenitro $convert3d $retain3d $coordinate  $fingerprint $retainorder -file $descriptor -log > $log ;
+/usr/bin/java -jar \$PADEL_PATH/PaDEL-Descriptor.jar -dir $input.extra_files_path/molecule.smi -2d $detectaromaticity $removesalt $standardizenitro $convert3d $retain3d $coordinate  $fingerprint $retainorder -file $descriptor -log > $log ;
 /bin/rm -rf $input.extra_files_path;
 #else
-/usr/bin/java -jar \$PADEL_PATH/testpadel/PaDEL-Descriptor.jar -dir $input -2d $detectaromaticity $removesalt $standardizenitro $convert3d $retain3d $coordinate  $fingerprint $retainorder -file $descriptor -log >$log
+/usr/bin/java -jar \$PADEL_PATH/PaDEL-Descriptor.jar -dir $input -2d $detectaromaticity $removesalt $standardizenitro $convert3d $retain3d $coordinate  $fingerprint $retainorder -file $descriptor -log >$log
 #end if
 </command>