Merge branch 'embb_dev'
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commit
4f52627740
10 changed files with 51 additions and 21 deletions
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mcsm_na/examples.py
Normal file → Executable file
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mcsm_na/examples.py
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mcsm_na/format_results_mcsm_na.py
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mcsm_na/format_results_mcsm_na.py
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mcsm_na/get_results_mcsm_na.py
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mcsm_na/get_results_mcsm_na.py
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mcsm_na/run_format_results_mcsm_na.py
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mcsm_na/run_format_results_mcsm_na.py
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@ -52,15 +52,16 @@ if not outdir:
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outdir_na = outdir + 'mcsm_na_results/'
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# Input file
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infile_mcsm_na = outdir_na + gene + '_output_combined_clean.tsv'
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infile_mcsm_na = outdir_na + gene.lower() + '_output_combined_clean.tsv'
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# Formatted output file
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outfile_mcsm_na_f = outdir_na + gene + '_complex_mcsm_na_norm.csv'
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outfile_mcsm_na_f = outdir_na + gene.lower() + '_complex_mcsm_na_norm.csv'
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#==========================
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#===========================================
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# CALL: format_results_mcsm_na()
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# Data: gid+streptomycin
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#==========================
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# Data: rpob+rifampicin, date: 18/11/2021
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#===========================================
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print('Formatting results for:', infile_mcsm_na)
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mcsm_na_df_f = format_mcsm_na_output(mcsm_na_output_tsv = infile_mcsm_na)
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@ -18,14 +18,14 @@ print(my_prediction_url)
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# TODO: add cmd line args
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#gene = 'gid'
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drug = 'streptomycin'
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datadir = homedir + '/git/Data'
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indir = datadir + '/' + drug + '/input'
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outdir = datadir + '/' + drug + '/output'
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outdir_mcsm_na = outdir + 'mcsm_na_results'
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drug = ''
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datadir = homedir + '/git/Data/'
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indir = datadir + drug + 'input/'
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outdir = datadir + drug + 'output/'
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outdir_mcsm_na = outdir + 'mcsm_na_results/'
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my_nuc_type = 'RNA'
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my_pdb_file = indir + '/gid_complex.pdb'
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my_pdb_file = indir + gene.lower() + '_complex.pdb'
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#=============================================================================
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# batch 26: 25.txt # RAN: 16 Feb:
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mcsm_na/split_csv.sh
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mcsm_na/split_csv.sh
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@ -0,0 +1,27 @@
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#!/bin/bash
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# FIXME: This is written for expediency to kickstart running dynamut and mcsm-NA
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# Usage: ~/git/LSHTM_analysis/dynamut/split_csv.sh <input file> <output dir> <chunk size in lines>
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# copy your snp file to split into the mcsm_na dir
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INFILE=$1
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OUTDIR=$2
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CHUNK=$3
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mkdir -p ${OUTDIR}/${CHUNK}
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cd ${OUTDIR}/${CHUNK}
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split ../../${INFILE} -l ${CHUNK} -d snp_batch_
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# use case
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#~/git/LSHTM_analysis/mcsm_na/split_csv.sh gid_mcsm_formatted_snps.csv snp_batches 50
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#~/git/LSHTM_analysis/mcsm_na/split_csv.sh embb_mcsm_formatted_snps.csv snp_batches 50
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#~/git/LSHTM_analysis/mcsm_na/split_csv.sh rpob_mcsm_formatted_snps_chain.csv snp_batches 20 # date: 17/11/2021
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#acccidently replaced file original rpob batches
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#~/git/LSHTM_analysis/mcsm_na/split_csv.sh 5uhc_mcsm_formatted_snps_chain.csv snp_batches_5uhc 20 # date: 17/11/2021
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mcsm_na/submit_mcsm_na.py
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mcsm_na/submit_mcsm_na.py
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