diff --git a/scripts/aa_index_scripts/new-aa.sh b/scripts/aa_index_scripts/new-aa.sh new file mode 100755 index 0000000..14e6701 --- /dev/null +++ b/scripts/aa_index_scripts/new-aa.sh @@ -0,0 +1,26 @@ +#!/bin/sh + +drug="pyrazinamide" +gene="pnca" +aa_python="/home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex/get_scores.py" +snp_dir="/home/tanu/git/Data/${drug}" +aa_outfile="/home/tanu/git/Data/${drug}/output/aa_index/${gene}_aa" + +for i in $(cat ${snp_dir}/output/*mcsm_snps*) +do + echo -n "${i}," >> $aa_outfile + python $aa_python $snp_dir/input/pnca_complex.pdb A $i >> $aa_outfile +done +# How I want it to run +#gene = "pncA" # force it to be lowercase +#chain = "A" +#mutfile = "/home/tanu/git/Data/output/_mcsm_snps.csv" +#mut = for i in mutfile + + +#$1 = "/home/tanu/git/Data/input/_complex.pdb +#$2 = chain +#$3 = mut + +#python /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex/get_scores.py $1 $2 $3 + diff --git a/scripts/aa_index_scripts/run_aaeg.sh b/scripts/aa_index_scripts/run_aaeg.sh index edf5fce..f409385 100755 --- a/scripts/aa_index_scripts/run_aaeg.sh +++ b/scripts/aa_index_scripts/run_aaeg.sh @@ -1,7 +1,8 @@ +#!/bin/sh #python /home/sportelli/Desktop/Important_Code/structural/aaindex/get_scores.py /home/sportelli/Desktop/Project_2_rpoB/leprae/RMLE_B_RFP.pdb C P28A #python /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex/get_scores.py /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/pnca_complex.pdb A L4S -python /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex/get_scores.py /home/tanu/git/Data/pyrazinamide/input/pnca_complex.pdb A L4S - +#python /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex/get_scores.py /home/tanu/git/Data/pyrazinamide/input/pnca_complex.pdb A L4S +for i in $(cat /home/tanu/git/Data/pyrazinamide/output/*mcsm_snps*); do echo -n "${i}," >>/home/tanu/git/Data/pyrazinamide/output/aa_index/pnca_aa; python /home/tanu/git/LSHTM_analysis/scripts/aa_index_scripts/aaindex/get_scores.py /home/tanu/git/Data/pyrazinamide/input/pnca_complex.pdb A $i >> /home/tanu/git/Data/pyrazinamide/output/aa_index/pnca_aa; done # How I want it to run #drug = "pyrazinamide" #gene = "pncA" # force it to be lowercase