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saving extreme muts analysis

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Tanushree Tunstall 2020-09-11 16:43:27 +01:00
parent a14fc4dc33
commit 0665bc80a9
1 changed files with 11 additions and 0 deletions
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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 # Closest Stabilising for ligand affinity
close_s_lig = df_s_lig[order(df_s_lig$ligand_distance, df_s_lig$ligand_affinity_change),] 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