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renamed 2 to _v2

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This commit is contained in:
Tanushree Tunstall 2022-08-22 11:41:42 +01:00
parent c9d7ea9fad
commit 802d6f8495
18 changed files with 761 additions and 976 deletions
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25
config/embb.R
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@ -70,30 +70,30 @@ cat("\nNo. of active site residues for gene"
##############################################################
aa_pos_emb = sort(unique(c( aa_ligplus_emb
, aa_plip_emb
, aa_arpeg_emb)))
, aa_plip_emb
, aa_arpeg_emb)))
aa_pos_drug = aa_pos_emb
aa_pos_emb_hbond = sort(unique(c( aa_ligplus_emb_hbond
, aa_plip_emb_hbond)))
, aa_plip_emb_hbond)))
aa_pos_ca = sort(unique(c( aa_ligplus_ca
, aa_plip_ca
, aa_arpeg_ca)))
, aa_plip_ca
, aa_arpeg_ca)))
aa_pos_cdl = sort(unique(c( aa_ligplus_cdl
, aa_plip_cdl
, aa_arpeg_cdl )))
, aa_plip_cdl
, aa_arpeg_cdl )))
aa_pos_cdl_hbond = sort(unique(c( aa_ligplus_cdl_hbond )))
aa_pos_dsl = sort(unique(c( aa_ligplus_dsl
, aa_plip_dsl
, aa_arpeg_dsl)))
, aa_plip_dsl
, aa_arpeg_dsl)))
aa_pos_dsl_hbond = sort(unique(c( aa_ligplus_dsl_hbond
, aa_plip_dsl_hbond)))
, aa_plip_dsl_hbond)))
cat("\n==================================================="
, "\nActive site residues for", gene, "comprise of..."
@ -120,3 +120,4 @@ aa_pos_lig3 = aa_pos_ca #purple
tile_map=data.frame(tile=c("EMB","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))
drug_main_res = c(299 , 302, 303 , 306 , 327 , 592 , 594, 988, 1028)