# HG changeset patch # User recetox # Date 1709050831 0 # Node ID bc099c44001625f7c520984febf892c633e6e50c # Parent bf836aaeca19ad51e85c26acc2c1f8304ff6d287 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/qcxms commit b33d814384657d9ff2357f86529e9cad49a6c2f9 diff -r bf836aaeca19 -r bc099c440016 qcxms_prod_run.xml --- a/qcxms_prod_run.xml Thu Feb 22 08:41:32 2024 +0000 +++ b/qcxms_prod_run.xml Tue Feb 27 16:20:31 2024 +0000 @@ -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 @@ 10.1255/ejms.1313 10.1021/acs.jpca.6b02907 - \ No newline at end of file +