From fadd61bf57b96e0ddc1ad6103afb9e1f57b44238 Mon Sep 17 00:00:00 2001
From: Tanushree Tunstall <tanu@tunstall.in>
Date: Fri, 11 Sep 2020 16:43:27 +0100
Subject: [PATCH] saving extreme muts analysis

---
 scripts/plotting/extreme_muts.R | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/scripts/plotting/extreme_muts.R b/scripts/plotting/extreme_muts.R
index b29b34c..2791369 100644
--- a/scripts/plotting/extreme_muts.R
+++ b/scripts/plotting/extreme_muts.R
@@ -106,3 +106,14 @@ close_d_lig = df_d_lig[order(df_d_lig$ligand_distance, df_d_lig$ligand_affinity_
 # Closest Stabilising for ligand affinity
 close_s_lig = df_s_lig[order(df_s_lig$ligand_distance, df_s_lig$ligand_affinity_change),]
 
+#===============
+# foldx
+#================
+df_d_foldx = df[df$foldx_outcome == "Destabilising",]
+hd_foldx = df_d_foldx[df_d_foldx$ddg == max(df_d_foldx$ddg), ]
+hd_foldx
+
+# Most Stabilising for protein stability (DUET)
+df_s_foldx = df[df$foldx_outcome == "Stabilising",]
+hs_foldx = df_s_foldx[df_s_foldx$ddg == min(df_s_foldx$ddg), ]
+hs_foldx