From b0eb73e5d6c0c0eae9a8b78d4219674249d6ec05 Mon Sep 17 00:00:00 2001 From: Leonardo Solis V Date: Fri, 16 Oct 2020 20:36:56 +0200 Subject: [PATCH] Fixing autodock4 script --- autodock426.sh | 40 ++++++++++++++++++++-------------------- 1 file changed, 20 insertions(+), 20 deletions(-) diff --git a/autodock426.sh b/autodock426.sh index 12e661d..7018839 100755 --- a/autodock426.sh +++ b/autodock426.sh @@ -2,23 +2,23 @@ # Running original single-threaded Autodock4.2.6 -./autodock4 -p dpf_autodock426/2048000/1u4d_rand-0.dpf -l results_autodock426/1u4d_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1xoz_rand-0.dpf -l results_autodock426/1xoz_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1yv3_rand-0.dpf -l results_autodock426/1yv3_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1owe_rand-0.dpf -l results_autodock426/1owe_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1oyt_rand-0.dpf -l results_autodock426/1oyt_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1ywr_rand-0.dpf -l results_autodock426/1ywr_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1t46_rand-0.dpf -l results_autodock426/1t46_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/2bm2_rand-0.dpf -l results_autodock426/2bm2_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1mzc_rand-0.dpf -l results_autodock426/1mzc_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1r55_rand-0.dpf -l results_autodock426/1r55_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/5wlo_rand-0.dpf -l results_autodock426/5wlo_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1kzk_rand-0.dpf -l results_autodock426/1kzk_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/3s8o_rand-0.dpf -l results_autodock426/3s8o_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/5kao_rand-0.dpf -l results_autodock426/5kao_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1hfs_rand-0.dpf -l results_autodock426/1hfs_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/1jyq_rand-0.dpf -l results_autodock426/1jyq_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/2d1o_rand-0.dpf -l results_autodock426/2d1o_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/3drf_rand-0.dpf -l results_autodock426/3drf_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/4er4_rand-0.dpf -l results_autodock426/4er4_singlecore_autodock426.dlg -./autodock4 -p dpf_autodock426/2048000/3er5_rand-0.dpf -l results_autodock426/3er5_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1u4d_rand-0.dpf -l results_autodock426/1u4d_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1xoz_rand-0.dpf -l results_autodock426/1xoz_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1yv3_rand-0.dpf -l results_autodock426/1yv3_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1owe_rand-0.dpf -l results_autodock426/1owe_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1oyt_rand-0.dpf -l results_autodock426/1oyt_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1ywr_rand-0.dpf -l results_autodock426/1ywr_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1t46_rand-0.dpf -l results_autodock426/1t46_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/2bm2_rand-0.dpf -l results_autodock426/2bm2_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1mzc_rand-0.dpf -l results_autodock426/1mzc_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1r55_rand-0.dpf -l results_autodock426/1r55_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/5wlo_rand-0.dpf -l results_autodock426/5wlo_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1kzk_rand-0.dpf -l results_autodock426/1kzk_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/3s8o_rand-0.dpf -l results_autodock426/3s8o_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/5kao_rand-0.dpf -l results_autodock426/5kao_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1hfs_rand-0.dpf -l results_autodock426/1hfs_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/1jyq_rand-0.dpf -l results_autodock426/1jyq_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/2d1o_rand-0.dpf -l results_autodock426/2d1o_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/3drf_rand-0.dpf -l results_autodock426/3drf_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/4er4_rand-0.dpf -l results_autodock426/4er4_singlecore_autodock426.dlg +./autodock4 -p dpf_autodock426/3er5_rand-0.dpf -l results_autodock426/3er5_singlecore_autodock426.dlg