# HG changeset patch
# User bitlab
# Date 1580127139 18000
# Node ID b9e7ec4e3cdefbcf8b8992bfe7791f80ef2844f2
# Parent  d45ae17b447011814bceb5174ce0ab6efb9bbf8f
Uploaded

diff -r d45ae17b4470 -r b9e7ec4e3cde PLIDflow/launch_confmaker_multiple.sh
--- a/PLIDflow/launch_confmaker_multiple.sh	Mon Jan 27 02:49:46 2020 -0500
+++ b/PLIDflow/launch_confmaker_multiple.sh	Mon Jan 27 07:12:19 2020 -0500
@@ -39,18 +39,18 @@
 source ADT_VENV/bin/activate
 
 #echo "[RUNNING] - (Rscript pdbcenter_npts_finder.R $receptor_pdbqt_modified $RANDDIR) &>/dev/null"
-Rscript pdbcenter_npts_finder.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR
+(Rscript pdbcenter_npts_finder.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR) 2>&1
 
 #echo "[RUNNING] - (Rscript gpffilemaker.R $receptor_pdbqt $RANDDIR) "
-Rscript gpffilemaker.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR
+(Rscript gpffilemaker.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR) 2>&1
 
 #echo "[RUNNING] - (Rscript glgfilemaker.R $receptor_pdbqt $RANDDIR) "
-Rscript glgfilemaker.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR
+(Rscript glgfilemaker.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR) 2>&1
 
 #echo "[RUNNING] - (Rscript envelopesmaker.R $receptor_pdbqt $RANDDIR) "
 #(Rscript envelopesmaker.R $receptor_pdbqt $RANDDIR) &>/dev/null
 pathLigand=$(which AutoLigand.py)
-Rscript envelopesmaker.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR $pathLigand
+(Rscript envelopesmaker.R $receptor_pdbqt_modified2 $MYPWD/$RANDDIR $pathLigand) 2>&1
 
 #cp ~/proteindb/2E9U_PH7/FILL* .
 
@@ -59,15 +59,15 @@
 
 
 #echo "[RUNNING] - (Rscript clusterfilemaker.R $RANDDIR) "
-Rscript clusterfilemaker.R $MYPWD/$RANDDIR
+(Rscript clusterfilemaker.R $MYPWD/$RANDDIR) 2>&1
 
 
 #echo "[RUNNING] - (Rscript clusterfinder_Auto.R $RANDDIR) "
-Rscript clusterfinder_Auto.R $MYPWD/$RANDDIR
+(Rscript clusterfinder_Auto.R $MYPWD/$RANDDIR) 2>&1
 
 
 #echo "[RUNNING] - (Rscript cluster_to_vina_cluster.R $receptor_pdbqt_modified2 $ligand_pdbqt $out $log $size_x $RANDDIR $receptor_name $ligand_name) "
-Rscript cluster_to_vina_cluster.R $receptor_pdbqt_modified2 $ligand_pdbqt $out $log $size_x $MYPWD/$RANDDIR $receptor_name $ligand_name
+(Rscript cluster_to_vina_cluster.R $receptor_pdbqt_modified2 $ligand_pdbqt $out $log $size_x $MYPWD/$RANDDIR $receptor_name $ligand_name) 2>&1
 
 
 cd $MYPWD