From 1c86967098a4239935bf4a5a775cad27d2d80941 Mon Sep 17 00:00:00 2001 From: Helge Hecht Date: Tue, 27 Feb 2024 15:41:04 +0000 Subject: [PATCH] Update qcxms_prod_run.xml --- tools/qcxms/qcxms_prod_run.xml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/tools/qcxms/qcxms_prod_run.xml b/tools/qcxms/qcxms_prod_run.xml index 3501bcd2..103cd679 100644 --- a/tools/qcxms/qcxms_prod_run.xml +++ b/tools/qcxms/qcxms_prod_run.xml @@ -1,4 +1,4 @@ - + Production run to obtain a QCxMS simulated mass spectrum @@ -10,7 +10,7 @@ > $log' && + find TMPQCXMS/*/ -type d | xargs -I {} -P \${GALAXY_SLOTS:-1} sh -c 'cd {} && /qcxms_bin/qcxms --prod >> $log' && /qcxms_bin/getres && /plotms_bin/PlotMS.v.6.2.0/plotms && sh ${__tool_directory__}/msp_out.sh @@ -84,4 +84,4 @@ for folder_name, in_file, start_file, xyz_file in zip(folder_names, in_collectio 10.1255/ejms.1313 10.1021/acs.jpca.6b02907 - \ No newline at end of file +