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run.013.dn.submit_rankjobs.csh
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run.013.dn.submit_rankjobs.csh
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#!/bin/tcsh -fe
### This script submits each score ranked script found in zzz.rank_scripts.
### This is the scripts that begins making the 9x9 matrix of ranked lists.
### Set some paths
set dockdir = "${DOCKHOMEWORK}/bin"
set amberdir = "${AMBERHOMEWORK}/bin"
set moedir = "${MOEHOMEWORK}/bin"
set rootdir = "${VS_ROOTDIR}"
set mpidir = "${VS_MPIDIR}/bin"
set masterdir = "${rootdir}/zzz.master"
set paramdir = "${rootdir}/zzz.parameters"
set scriptdir = "${rootdir}/zzz.scripts"
set descriptdir = "${rootdir}/zzz.descriptor"
set zincdir = "${rootdir}/zzz.zinclibs"
set system = "${VS_SYSTEM}"
set vendor = "${VS_VENDOR}"
set rankdir = "${rootdir}/zzz.rank_scripts"
### 1st set
foreach score (dce_sum fps_es fps_sum fps_vdw totalScore fms_score vo_score hms_score descriptor_score )
echo ${score}
tcsh ${rankdir}/run.008.denovo.${score}_rank.csh
cd ${VS_ROOTDIR}
end
### Depending on which queue you use chose for the scripts
### you might have to submit in batches hence the two sets
### 2nd set
### foreach score (vo_score hms_score descriptor_score)
# echo ${score}
# tcsh ${rankdir}/run.008.${score}_rank.csh
# cd ${VS_ROOTDIR}
#end