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added more scripts

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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
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10
config/rpob.R
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@ -28,9 +28,12 @@ aa_arpeg_rfp = c(170, 428, 429, 430, 431, 432
, 607, 674)
##############################################################
remove_pos = c(170, 674, 604)
active_aa_pos = sort(unique(c(aa_plip_rfp
, aa_plip_5uhc_rfp
, aa_arpeg_rfp)))
active_aa_pos = active_aa_pos[!active_aa_pos%in%remove_pos]
##############################################################
cat("\nNo. of active site residues for gene"
, gene, ":"
@ -42,11 +45,14 @@ aa_pos_rfp = sort(unique(c(aa_plip_rfp
, aa_plip_5uhc_rfp
, aa_arpeg_rfp)))
aa_pos_rfp = aa_pos_rfp[!aa_pos_rfp%in%remove_pos]
aa_pos_drug = aa_pos_rfp
aa_pos_rfp_hbond = sort(unique(c(aa_plip_rfp_hbond
, aa_plip_5uhc_rfp_hbond)))
aa_pos_rfp_hbond = aa_pos_rfp_hbond[!aa_pos_rfp_hbond%in%remove_pos]
cat("\n==================================================="
, "\nActive site residues for", gene, "comprise of..."
, "\n==================================================="
@ -62,3 +68,7 @@ aa_pos_lig3 = NULL
tile_map=data.frame(tile=c("RPO","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))
####
chain_suffix = ".C"
print(toString(paste0(aa_pos_drug, chain_suffix)))