This commit is contained in:
Tanushree Tunstall 2022-08-23 21:54:16 +01:00
parent 0284122ef2
commit 9aed99e805
6 changed files with 26 additions and 22 deletions

View file

@ -274,6 +274,8 @@ if (nrow(dd_lig) == table(str_df_plot_cols$pe_effect_outcome)[['DD_lig']]){
}else{
stop("Abort: DD affinity colour numbers mismtatch")
}
paste0(dd_lig_pos,chain_suffix)
toString(paste0(dd_lig_pos,chain_suffix))
# +ve Lig Aff
ss_lig = str_df_plot_cols[str_df_plot_cols$pe_effect_outcome=="SS_lig",]
@ -284,8 +286,8 @@ if (nrow(ss_lig) == table(str_df_plot_cols$pe_effect_outcome)[['SS_lig']]){
stop("Abort: SS affinity colour numbers mismtatch")
}
#put in chimera cmd
paste0(dd_lig_pos,chain_suffix)
paste0(ss_lig_pos,chain_suffix)
toString(paste0(ss_lig_pos,chain_suffix))
}
@ -310,8 +312,8 @@ if (nrow(ss_nca) == table(str_df_plot_cols$pe_effect_outcome)[['SS_nucleic_acid
}
#put in chimera cmd
paste0(dd_nca_pos, chain_suffix)
paste0(ss_nca_pos, chain_suffix)
toString(paste0(dd_nca_pos, chain_suffix))
toString(paste0(ss_nca_pos, chain_suffix))
#=========================================================
#------------------------
@ -335,7 +337,7 @@ if (nrow(ss_stability) == table(str_df_plot_cols$pe_effect_outcome)[['SS_stabil
#put in chimera cmd
# stabiliting first as it has less numbers
paste0(ss_stability_pos, chain_suffix)
paste0(dd_stability_pos, chain_suffix)
toString(paste0(dd_stability_pos, chain_suffix))
toString(paste0(ss_stability_pos, chain_suffix))
####################################################################