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1 changed files with 28 additions and 24 deletions
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@ -24,30 +24,7 @@ rm(merged_df2, merged_df2_comp, merged_df2_lig, merged_df2_comp_lig
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#%%%%%%%%%%%%%%%%%%%%
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#%%%%%%%%%%%%%%%%%%%%
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df_ps = merged_df3
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df_ps = merged_df3
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# name tidying
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# adding folds scaled values
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df_ps$mutation_info = as.factor(df_ps$mutation_info)
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df_ps$duet_outcome = as.factor(df_ps$duet_outcome)
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df_ps$foldx_outcome = as.factor(df_ps$foldx_outcome)
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df_ps$ligand_outcome = as.factor(df_ps$ligand_outcome)
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# check
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table(df_ps$mutation_info)
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#%%%%%%%%%%%%%%%%%%%
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# REASSIGNMENT: LIG
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#%%%%%%%%%%%%%%%%%%%%
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df_lig = merged_df3_lig
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# name tidying
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df_lig$mutation_info = as.factor(df_lig$mutation_info)
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df_lig$duet_outcome = as.factor(df_lig$duet_outcome)
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df_lig$ligand_outcome = as.factor(df_lig$ligand_outcome)
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# check
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table(df_lig$mutation_info)
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#========================================================================
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n = which(colnames(df_ps) == "ddg"); n # 10
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n = which(colnames(df_ps) == "ddg"); n # 10
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my_min = min(df_ps[,n]); my_min
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my_min = min(df_ps[,n]); my_min
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@ -73,6 +50,33 @@ if ( all(c1 == c2) ){
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exit()
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exit()
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}
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}
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# name tidying
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df_ps$mutation_info = as.factor(df_ps$mutation_info)
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df_ps$duet_outcome = as.factor(df_ps$duet_outcome)
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df_ps$foldx_outcome = as.factor(df_ps$foldx_outcome)
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df_ps$ligand_outcome = as.factor(df_ps$ligand_outcome)
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# check
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table(df_ps$mutation_info)
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#%%%%%%%%%%%%%%%%%%%
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# REASSIGNMENT: LIG
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#%%%%%%%%%%%%%%%%%%%%
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df_lig = merged_df3_lig
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# name tidying
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df_lig$mutation_info = as.factor(df_lig$mutation_info)
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df_lig$duet_outcome = as.factor(df_lig$duet_outcome)
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df_lig$ligand_outcome = as.factor(df_lig$ligand_outcome)
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# check
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table(df_lig$mutation_info)
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#========================================================================
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#===========
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#===========
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# Data: ps
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# Data: ps
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#===========
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#===========
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