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added delta symbol to plotting_data.R and pretty labels for dr_other_muts figure

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Tanushree Tunstall 2020-09-11 14:40:37 +01:00
parent ecbc7541e9
commit 8d9ede186c
3 changed files with 108 additions and 83 deletions
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26
scripts/plotting/other_plots_data.R
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@ -110,14 +110,12 @@ df_lig = merged_df3_lig
# name tidying
df_lig$mutation_info = as.factor(df_lig$mutation_info)
df_lig$duet_outcome = as.factor(df_lig$duet_outcome)
df_lig$ligand_outcome = as.factor(df_lig$ligand_outcome)
#df_lig$ligand_outcome = as.factor(df_lig$ligand_outcome)
# check
table(df_lig$mutation_info)
#========================================================================
#===========
# Data: ps
#===========
@ -155,8 +153,16 @@ str(df_lf_ps)
# assign pretty labels: param_type
levels(df_lf_ps$param_type); table(df_lf_ps$param_type)
levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="duet_scaled"] <- "DUET"
levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="ligand_distance"] <- "Ligand Distance"
ligand_dist_colname = paste0("Distance to ligand (", angstroms_symbol, ")")
ligand_dist_colname
duet_stability_name = paste0(delta_symbol, delta_symbol, "G")
duet_stability_name
#levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="duet_scaled"] <- "Stability"
levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="duet_scaled"] <- duet_stability_name
#levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="ligand_distance"] <- "Ligand Distance"
levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="ligand_distance"] <- ligand_dist_colname
levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="asa"] <- "ASA"
levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="rsa"] <- "RSA"
levels(df_lf_ps$param_type)[levels(df_lf_ps$param_type)=="rd_values"] <- "RD"
@ -183,7 +189,7 @@ cols_to_select_lig = c("mutationinformation", "mutation", "position", "mutation_
, "ligand_outcome"
, "affinity_scaled"
, "ligand_distance"
#, "ligand_distance"
, "asa"
, "rsa"
, "rd_values"
@ -210,7 +216,7 @@ if (nrow(df_lf_lig) == expected_rows_lf_lig){
levels(df_lf_lig$param_type); table(df_lf_lig$param_type)
levels(df_lf_lig$param_type)[levels(df_lf_lig$param_type)=="affinity_scaled"] <- "Ligand Affinity"
levels(df_lf_lig$param_type)[levels(df_lf_lig$param_type)=="ligand_distance"] <- "Ligand Distance"
#levels(df_lf_lig$param_type)[levels(df_lf_lig$param_type)=="ligand_distance"] <- "Ligand Distance"
levels(df_lf_lig$param_type)[levels(df_lf_lig$param_type)=="asa"] <- "ASA"
levels(df_lf_lig$param_type)[levels(df_lf_lig$param_type)=="rsa"] <- "RSA"
levels(df_lf_lig$param_type)[levels(df_lf_lig$param_type)=="rd_values"] <- "RD"
@ -260,10 +266,14 @@ if (nrow(df_lf_foldx) == expected_rows_lf_foldx){
exit()
}
foldx_stability_name = paste0(delta_symbol, delta_symbol, "G")
foldx_stability_name
# assign pretty labels: param type
levels(df_lf_foldx$param_type); table(df_lf_foldx$param_type)
levels(df_lf_foldx$param_type)[levels(df_lf_foldx$param_type)=="foldx_scaled"] <- "Foldx"
#levels(df_lf_foldx$param_type)[levels(df_lf_foldx$param_type)=="foldx_scaled"] <- "Stability"
levels(df_lf_foldx$param_type)[levels(df_lf_foldx$param_type)=="foldx_scaled"] <- foldx_stability_name
#levels(df_lf_foldx$param_type)[levels(df_lf_foldx$param_type)=="ligand_distance"] <- "Ligand Distance"
#levels(df_lf_foldx$param_type)[levels(df_lf_foldx$param_type)=="asa"] <- "ASA"
#levels(df_lf_foldx$param_type)[levels(df_lf_foldx$param_type)=="rsa"] <- "RSA"