diff --git a/scripts/aa_index_scripts/new-aa.sh b/scripts/aa_index_scripts/new-aa.sh index 14e6701..6bbd144 100755 --- a/scripts/aa_index_scripts/new-aa.sh +++ b/scripts/aa_index_scripts/new-aa.sh @@ -1,15 +1,16 @@ #!/bin/sh +drug=${1:-pyrazinamide} +gene=${2:-pnca} -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*) +echo "Running for drug: ${drug} and gene ${gene}. Output to: ${aa_outfile}" +for i in $(cat ${snp_dir}/output/${gene}_mcsm_formatted_snps.csv) do echo -n "${i}," >> $aa_outfile - python $aa_python $snp_dir/input/pnca_complex.pdb A $i >> $aa_outfile + python $aa_python $snp_dir/input/${gene}_complex.pdb A $i >> $aa_outfile done # How I want it to run #gene = "pncA" # force it to be lowercase