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create_plot2_backup.x
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create_plot2_backup.x
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#!/bin/bash -f
### DEVE SER CHAMADO NO DIRETORIO ANTERIOR ao diretorio principal, onde principal = 1UNC_1ns_1_RUN1!
# create_plot2.x RUN_NUMBER(SEED-1,2,3etc) TYPE_OF_SIMULATION(CT-REMD,REMD.CMD,MD)
#ex: create_plot2.x 1 1 2 3 4
mkdir plots
cd plots
compute_rmsd.py rmsd.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.269.50.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.355.26.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.461.67.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.285.22.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.374.74.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.485.87.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.301.66.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.395.07.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.511.14.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.318.76.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.416.32.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.537.54.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.336.61.dat ../1UNC_1ns_$2_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.438.50.dat
compute_rmsd.py rmsd2.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.269.50.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.355.26.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.461.67.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.285.22.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.374.74.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.485.87.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.301.66.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.395.07.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.511.14.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.318.76.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.416.32.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.537.54.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.336.61.dat ../1UNC_1ns_$3_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.438.50.dat
compute_rmsd_2.py rmsd3.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.001.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.006.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.011.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.002.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.007.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.012.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.003.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.008.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.013.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.004.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.009.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.014.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.005.dat ../1UNC_1ns_$4_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.010.dat
compute_rmsd_2.py rmsd4.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.001.dat ../1UNC_1ns_$5_RUN1/MD/rmsd-total_Ttraj_3-33_CA.006.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.011.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.002.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.007.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.012.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.003.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.008.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.013.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.004.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.009.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.014.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.005.dat ../1UNC_1ns_$5_RUN$1/MD/rmsd-total_Ttraj_3-33_CA.010.dat
paste rmsd.dat rmsd2.dat rmsd3.dat rmsd4.dat > rmsd_data.dat
rmsd_min.sh
compute_gdt.py gdt.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.269.50.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.355.26.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.461.67.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.285.22.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.374.74.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.485.87.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.301.66.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.395.07.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.511.14.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.318.76.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.416.32.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.537.54.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.336.61.dat ../1UNC_1ns_$2_RUN$1/MD/gdt-total_Ttraj.438.50.dat
compute_gdt.py gdt2.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.269.50.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.355.26.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.461.67.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.285.22.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.374.74.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.485.87.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.301.66.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.395.07.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.511.14.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.318.76.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.416.32.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.537.54.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.336.61.dat ../1UNC_1ns_$3_RUN$1/MD/gdt-total_Ttraj.438.50.dat
compute_gdt_2.py gdt3.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.001.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.006.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.011.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.002.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.007.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.012.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.003.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.008.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.013.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.004.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.009.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.014.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.005.dat ../1UNC_1ns_$4_RUN$1/MD/gdt-total_Ttraj.010.dat
compute_gdt_2.py gdt4.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.001.dat ../1UNC_1ns_$5_RUN1/MD/gdt-total_Ttraj.006.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.011.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.002.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.007.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.012.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.003.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.008.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.013.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.004.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.009.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.014.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.005.dat ../1UNC_1ns_$5_RUN$1/MD/gdt-total_Ttraj.010.dat
paste gdt.dat gdt2.dat gdt3.dat gdt4.dat > gdt_data.dat
gdt_min.sh
mkdir plots_$1
mv gdt.dat gdt2.dat gdt3.dat gdt4.dat gdt_data.dat rmsd.dat rmsd2.dat rmsd3.dat rmsd4.dat rmsd_data.dat rmsd_min.pdf gdt_min.pdf plots_$1/
cd '..'
#boxplot_rmsd.sh 1 1
#boxplot_gdt.sh 1 1