155 lines
5.3 KiB
R
155 lines
5.3 KiB
R
source("~/git/LSHTM_analysis/config/alr.R")
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source("~/git/LSHTM_analysis/config/embb.R")
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source("~/git/LSHTM_analysis/config/gid.R")
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source("~/git/LSHTM_analysis/config/katg.R")
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source("~/git/LSHTM_analysis/config/pnca.R")
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source("~/git/LSHTM_analysis/config/rpob.R")
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#================================
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# output files
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# In total: 6 files are written
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#================================
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outdir_images = paste0("~/git/Writing/thesis/images/results/", tolower(gene))
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# mutational positions: all
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outfile_mutpos = paste0(outdir_images, "/", tolower(gene), "_mutpos_all.txt")
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outfile_meta1 = paste0(outdir_images, "/", tolower(gene), "_mutpos_cu.txt")
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# mutational positions with sensitivity: S, R and common
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outfile_mutpos_S = paste0(outdir_images, "/", tolower(gene), "_mutpos_S.txt")
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outfile_mutpos_R = paste0(outdir_images, "/", tolower(gene), "_mutpos_R.txt")
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outfile_mutpos_common = paste0(outdir_images, "/", tolower(gene), "_mutpos_common.txt")
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outfile_meta2 = paste0(outdir_images, "/", tolower(gene), "_mutpos_annot_cu.txt")
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#=============
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# Input
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#=============
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df3_filename = paste0("~/git/Data/", drug, "/output/", tolower(gene), "_merged_df3.csv")
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df3 = read.csv(df3_filename)
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# Determine for each gene
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if (tolower(gene) == "embb"){
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chain_suffix = ".B"
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} else{
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chain_suffix = ".A"
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}
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# mut_info checks
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table(df3$mutation_info)
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table(df3$mutation_info_orig)
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table(df3$mutation_info_labels_orig)
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# used in plots and analyses
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table(df3$mutation_info_labels) # different, and matches dst_mode
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table(df3$dst_mode)
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# create column based on dst mode with different colname
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table(is.na(df3$dst))
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table(is.na(df3$dst_mode))
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#===============
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# Create column: sensitivity mapped to dst_mode
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#===============
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df3$sensitivity = ifelse(df3$dst_mode == 1, "R", "S")
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table(df3$sensitivity)
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length(unique((df3$mutationinformation)))
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all_colnames = as.data.frame(colnames(df3))
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############################################################
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cols_to_extract = c("mutationinformation"
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, "wild_type"
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, "chain"
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, "mutant_type"
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, "position"
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, "dst_mode"
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, "mutation_info_labels_orig"
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, "mutation_info_labels"
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, "sensitivity")
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df3_plot = df3[, cols_to_extract]
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# create pos_chain column: allows easier colouring in chimera
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df3_plot$pos_chain = paste(df3_plot$position, df3_plot$chain, sep = ".")
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pos_cu = length(unique(df3_plot$position))
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#===========================
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# positions with mutations
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#===========================
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#df3_all_mut_pos = df3_plot[, c("mutationinformation", "position", "chain")]
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#df3_all_mut_pos$pos_chain = paste(df3_all_mut_pos$position, df3_all_mut_pos$chain, sep = ".")
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df3_all_mut_pos = df3_plot[, c("position", "pos_chain")]
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gene_mut_pos_u = unique(df3_all_mut_pos$pos_chain)
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class(gene_mut_pos_u)
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paste(gene_mut_pos_u, collapse=',')
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if (length(gene_mut_pos_u) == pos_cu){
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cat("\nPASS: all mutation positions extracted"
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, "\nWriting file:", outfile_mutpos)
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} else{
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stop("\nAbort: mutation position count mismatch")
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}
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write.table(paste(gene_mut_pos_u, collapse=',')
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, outfile_mutpos
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, row.names = F
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, col.names = F)
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write.table(paste("Count of positions with mutations in gene"
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, tolower(gene), ":", pos_cu)
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, outfile_meta1
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, row.names = F
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, col.names = F)
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#========================================
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# positions with sensitivity annotations
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#========================================
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df3_muts_annot = df3_plot[, c("mutationinformation", "position", "pos_chain", "sensitivity")]
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# aggregrate position count by sensitivity
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result <- aggregate(sensitivity ~ position, data = df3_muts_annot, paste, collapse = "")
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sensitive_pos = result$position[grep("(^S+$)", result$sensitivity)]
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sensitive_pos = paste0(sensitive_pos, chain_suffix)
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resistant_pos = result$position[grep("(^R+$)", result$sensitivity)]
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resistant_pos = paste0(resistant_pos, chain_suffix)
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common_pos = result$position[grep("SR|RS" , result$sensitivity)]
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common_pos = paste0(common_pos, chain_suffix)
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if (tolower(gene)!= "alr"){
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length_check = length(sensitive_pos) + length(resistant_pos) + length(common_pos)
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cpl = length(common_pos)
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}else{
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length_check = length(sensitive_pos) + length(resistant_pos)
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cpl = 0
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}
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if (length_check == pos_cu){
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cat("\nPASS: position with mutational sensitivity extracted"
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, "\nWriting files: sensitive, resistant and common position counts" )
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} else{
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stop("\nAbort: position with mutational sensitivity count mismatch")
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}
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write.table(paste(sensitive_pos, collapse = ',')
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, outfile_mutpos_S
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, row.names = F, col.names = F)
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write.table(paste(resistant_pos, collapse = ',')
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, outfile_mutpos_R
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, row.names = F, col.names = F)
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write.table(paste(common_pos, collapse = ',')
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, outfile_mutpos_common
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, row.names = F, col.names = F)
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write.table(paste("Count of positions with mutations in gene:"
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, tolower(gene)
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, "\nTotal mutational positions:", pos_cu
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, "\nsensitive:", length(sensitive_pos)
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, "\nresistant:", length(resistant_pos)
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, "\ncommon:" , cpl)
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, outfile_meta2
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, row.names = F
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, col.names = F)
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