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gidb_dev #1

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tanu wants to merge 386 commits from gidb_dev into master
pull from: gidb_dev
merge into: tanu:master
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scripts/plotting/extreme_muts.R
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@ -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