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added plotting/other_plots_data.R

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Tanushree Tunstall 2020-09-11 12:52:17 +01:00
parent 1262df40c9
commit ecbc7541e9
3 changed files with 277 additions and 7 deletions
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27
scripts/plotting/other_plots_data.R
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@ -35,21 +35,36 @@ write.csv(merged_df3_short, "merged_df3_short.csv")
#%%%%%%%%%%%%%%%%%%%%
df_ps = merged_df3
# adding folds scaled values
n = which(colnames(df_ps) == "ddg"); n # 10
#============================
# adding foldx scaled values
# scale data b/w -1 and 1
#============================
n = which(colnames(df_ps) == "ddg"); n
my_min = min(df_ps[,n]); my_min
my_max = max(df_ps[,n]); my_max
df_ps$foldx_scaled = ifelse(df_ps[,n] < 0
, df_ps[,n]/abs(my_min)
, df_ps[,n]/my_max) #335, 15
, df_ps[,n]/my_max)
# sanity check
my_min = min(df_ps$foldx_scaled); my_min
my_max = max(df_ps$foldx_scaled); my_max
my_max = max(df_ps$foldx_scaled); my_max
if (my_min == -1 && my_max == 1){
cat("PASS: foldx ddg successfully scaled b/w -1 and 1"
, "\nProceeding with assigning foldx outcome category")
}else{
cat("FAIL: could not scale foldx ddg values"
, "Aborting!")
}
#================================
# adding foldx outcome category
# ddg<0 = "Stabilising" (-ve)
#=================================
# assign foldx
#ddg<0 = "Stabilising" (-ve)
c1 = table(df_ps$ddg < 0)
df_ps$foldx_outcome = ifelse(df_ps$ddg < 0, "Stabilising", "Destabilising")
c2 = table(df_ps$ddg < 0)