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changeset 4:b9e7ec4e3cde draft

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Uploaded
author bitlab
date Mon, 27 Jan 2020 07:12:19 -0500
parents d45ae17b4470
children 97f12f7cc852
files PLIDflow/launch_confmaker_multiple.sh
diffstat 1 files changed, 7 insertions(+), 7 deletions(-) [+]
line wrap: on
line diff
--- 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