renamed 2 to _v2
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18 changed files with 761 additions and 976 deletions
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@ -16,6 +16,7 @@ corr_data_extract <- function(df
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if ( missing(colnames_to_extract) || missing(colnames_display_key) ){
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# log10maf
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df$maf2 = log10(df$maf) # can't see otherwise
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sum(is.na(df$maf2))
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@ -40,7 +41,7 @@ corr_data_extract <- function(df
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, "consurf_score" , "snap2_score" , "provean_score"
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, "ligand_affinity_change", "mmcsm_lig"
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#, "ddg_dynamut", "ddg_encom", "dds_encom", "ddg_mcsm", "ddg_sdm", "ddg_duet"
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)
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)
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display_common_colnames = c( drug, "dst_mode"
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, "DUET" , "FoldX" , "DeepDDG", "Dynamut2"
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@ -51,7 +52,7 @@ corr_data_extract <- function(df
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, "ConSurf" , "SNAP2" , "PROVEAN"
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, "mCSM-lig", "mmCSM-lig"
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# , "Dynamut" , "ENCoM-DDG" , "mCSM" , "SDM" , "DUET-d" , "ENCoM-DDS"
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)
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)
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if (tolower(gene)%in%geneL_normal){
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colnames_to_extract = c(common_colnames)
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@ -59,21 +60,21 @@ corr_data_extract <- function(df
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corr_df = df[,colnames_to_extract]
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colnames(corr_df) = display_colnames
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}
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}
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if (tolower(gene)%in%geneL_ppi2){
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colnames_to_extract = c(common_colnames ,"mcsm_ppi2_affinity", ppi2Dist_colname)
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display_colnames = c(display_common_colnames,"mCSM-PPI2" , "PPI-Dist")
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corr_df = df[,colnames_to_extract]
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colnames(corr_df) = display_colnames
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}
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}
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if (tolower(gene)%in%geneL_na){
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colnames_to_extract = c(common_colnames,"mcsm_na_affinity", naDist_colname)
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display_colnames = c(display_common_colnames, "mCSM-NA", "NA-Dist")
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display_colnames = c(display_common_colnames, "mCSM-NA", "NCA-Dist")
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corr_df = df[,colnames_to_extract]
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colnames(corr_df) = display_colnames
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}
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}
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# [optional] arg: extract_scaled_cols
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if (extract_scaled_cols){
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@ -98,19 +99,19 @@ corr_data_extract <- function(df
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# colnames(corr_df)[colnames(corr_df)%in%colnames_to_extract] <- display_colnames
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# colnames(corr_df)
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cat("\nExtracted ncols:", ncol(corr_df)
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,"\nRenaming successful")
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cat("\nSneak peak...")
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print(head(corr_df))
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# Move drug column to the end
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last_col = colnames(corr_df[ncol(corr_df)])
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#corr_df_f = corr_df %>% dplyr::relocate(all_of(drug), .after = last_col)
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#return(corr_df_f)
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return(corr_df)
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cat("\nExtracted ncols:", ncol(corr_df)
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,"\nRenaming successful")
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cat("\nSneak peak...")
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print(head(corr_df))
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# Move drug column to the end
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last_col = colnames(corr_df[ncol(corr_df)])
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#corr_df_f = corr_df %>% dplyr::relocate(all_of(drug), .after = last_col)
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#return(corr_df_f)
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return(corr_df)
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}
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}
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