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cluster_script.sh
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cluster_script.sh
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# Author: Dreycey Albin
# Date: 08/16/2019
##
# Purpose: The purpose of this script is to allow for clusters to made
# for any of the output directories. It then uses all of the clusters
# and generates pdb files from the clusters.
##
## Clustering the models
for pdb_directory in cyrano_simulations/*;
do echo working on clustering ${pdb_directory};
./clustering ${pdb_directory}/*traflall.trafl 0.01 2.8 >& ${pdb_directory}/clustering.log;
done;
## Turning the clustered models into pdb models
## NOTE: number of cluster to look at can be change by modifying the
## if [ $CLUSTER_COUNTER -lt 200 ]; statement
for pdb_directory in cyrano_simulations/*;
do for pdb_file in $pdb_directory/*0_01-000001_AA.pdb;
do pdf_file_prefix=${pdb_file:(-35):24};
CLUSTER_COUNTER=0;
for trafl_file in trafl_file in $pdb_directory/*clust*.trafl;
do trafl_file_prefix=${trafl_file:(-30):24};
if [ $CLUSTER_COUNTER -lt 200 ];
then
echo working on $pdf_file_prefix $trafl_file_prefix;
./DEFAULT_simRNA/SimRNA_trafl2pdbs $pdb_file $trafl_file 1 AA;
fi;
let CLUSTER_COUNTER=CLUSTER_COUNTER+1;
done;
done;
done;