From 4e2bf1496a04d79e64b46d2d2bf5693025e80365 Mon Sep 17 00:00:00 2001 From: Tanushree Tunstall Date: Fri, 11 Sep 2020 17:41:40 +0100 Subject: [PATCH] added check for active site mut count --- scripts/plotting/extreme_muts.R | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/scripts/plotting/extreme_muts.R b/scripts/plotting/extreme_muts.R index 2791369..aaceb15 100644 --- a/scripts/plotting/extreme_muts.R +++ b/scripts/plotting/extreme_muts.R @@ -108,7 +108,7 @@ close_s_lig = df_s_lig[order(df_s_lig$ligand_distance, df_s_lig$ligand_affinity_ #=============== # foldx -#================ +#=============== df_d_foldx = df[df$foldx_outcome == "Destabilising",] hd_foldx = df_d_foldx[df_d_foldx$ddg == max(df_d_foldx$ddg), ] hd_foldx @@ -117,3 +117,10 @@ hd_foldx df_s_foldx = df[df$foldx_outcome == "Stabilising",] hs_foldx = df_s_foldx[df_s_foldx$ddg == min(df_s_foldx$ddg), ] hs_foldx + + +#=============== +# active site muts +#=============== + +aa_muts = merged_df3[merged_df3$ligand_distance<5,]