added more scripts
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9aed99e805
commit
11b936f09b
9 changed files with 148 additions and 117 deletions
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@ -261,6 +261,8 @@ if (nrow(dd_lig) == table(str_df_plot_cols$pe_effect_outcome)[['DD_lig']]){
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dd_lig_pos = dd_lig[[pos_colname]]
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}else{
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stop("Abort: DD affinity colour numbers mismtatch")
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print(toString(paste0(dd_lig_pos, chain_suffix)))
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}
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# +ve Lig Aff
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@ -272,13 +274,9 @@ if (!empty(ss_lig)){
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stop("Abort: SS affinity colour numbers mismtatch")
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}
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#put in chimera cmd
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paste0(dd_lig_pos, chain_suffix)
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paste0(ss_lig_pos, chain_suffix)
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print(toString(paste0(ss_lig_pos, chain_suffix)))
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}
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#===================================================
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#-------------------
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# PPI2 Affinity
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@ -289,6 +287,8 @@ if (nrow(dd_ppi2) == table(str_df_plot_cols$pe_effect_outcome)[['DD_ppi2']]){
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dd_ppi2_pos = dd_ppi2[[pos_colname]]
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}else{
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stop("Abort: DD PPI2 colour numbers mismtatch")
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print(toString(paste0(dd_ppi2_pos,chain_suffix)))
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}
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# +ve PPI2
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@ -297,11 +297,11 @@ if (nrow(ss_ppi2) == table(str_df_plot_cols$pe_effect_outcome)[['SS_ppi2']]){
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ss_ppi2_pos = ss_ppi2[[pos_colname]]
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}else{
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stop("Abort: SS PPI2 colour numbers mismtatch")
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print(toString(paste0(ss_ppi2_pos,chain_suffix)))
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}
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#put in chimera cmd
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paste0(dd_ppi2_pos,chain_suffix)
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paste0(ss_ppi2_pos,chain_suffix)
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#=========================================================
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#------------------------
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@ -323,9 +323,9 @@ if (nrow(ss_stability) == table(str_df_plot_cols$pe_effect_outcome)[['SS_stabil
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stop("Abort: SS Stability colour numbers mismtatch")
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}
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#put in chimera cmd
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# stabiliting first as it has less numbers
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paste0(ss_stability_pos, chain_suffix)
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paste0(dd_stability_pos, chain_suffix)
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# put in chimera cmd
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print(toString(paste0(dd_stability_pos, chain_suffix)))
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print(toString(paste0(ss_stability_pos, chain_suffix)))
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####################################################################
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