added more scripts

This commit is contained in:
Tanushree Tunstall 2022-08-24 20:04:29 +01:00
parent 9aed99e805
commit 11b936f09b
9 changed files with 148 additions and 117 deletions

View file

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