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Tanushree Tunstall 2022-08-17 18:42:15 +01:00
parent cd9b1ad245
commit c9d7ea9fad
10 changed files with 208 additions and 128 deletions
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2
config/alr.R
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@ -107,6 +107,6 @@ if ( all(c1, c2, c3) ) {
aa_pos_lig1 = NULL
aa_pos_lig2 = NULL
aa_pos_lig3 = NULL
tile_map=data.frame(tile=c("ALR","DSL","CDL","Ca"),
tile_map=data.frame(tile=c("ALR","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))

4
config/embb.R
View file

@ -104,7 +104,7 @@ cat("\n==================================================="
, aa_pos_ca
, "\nNo. of ligand 'CDL' binding residues:" , length(aa_pos_cdl), "\n"
, aa_pos_cdl
, "\nNo. of ligand 'DSL' binding residues:" , length(aa_pos_dsl), "\n"
, "\nNo. of ligand 'DPA' binding residues:" , length(aa_pos_dsl), "\n"
, aa_pos_dsl, "\n"
)
##############################################################
@ -117,6 +117,6 @@ aa_pos_lig1 = aa_pos_dsl #slategray
aa_pos_lig2 = aa_pos_cdl #navy blue
aa_pos_lig3 = aa_pos_ca #purple
tile_map=data.frame(tile=c("EMB","DSL","CDL","Ca"),
tile_map=data.frame(tile=c("EMB","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))

2
config/gid.R
View file

@ -132,6 +132,6 @@ cat("\n==================================================="
aa_pos_lig1 = aa_pos_rna
aa_pos_lig2 = aa_pos_sam
aa_pos_lig3 = aa_pos_amp
tile_map=data.frame(tile=c("GID","DSL","CDL","Ca"),
tile_map=data.frame(tile=c("GID","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))

2
config/katg.R
View file

@ -106,6 +106,6 @@ cat("\n==================================================="
aa_pos_lig1 = aa_pos_hem
aa_pos_lig2 = NULL
aa_pos_lig3 = NULL
tile_map=data.frame(tile=c("KAT","DSL","CDL","Ca"),
tile_map=data.frame(tile=c("KAT","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))

2
config/pnca.R
View file

@ -56,6 +56,6 @@ aa_pos_lig2 = NULL
aa_pos_lig3 = NULL
#aa_pos_lig2 = aa_pos_catalytic
#aa_pos_lig3 = aa_pos_hbond
tile_map=data.frame(tile=c("PZA","DSL","CDL","Ca"),
tile_map=data.frame(tile=c("PZA","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))

2
config/rpob.R
View file

@ -59,6 +59,6 @@ cat("\n==================================================="
aa_pos_lig1 = NULL
aa_pos_lig2 = NULL
aa_pos_lig3 = NULL
tile_map=data.frame(tile=c("RPO","DSL","CDL","Ca"),
tile_map=data.frame(tile=c("RPO","DPA","CDL","Ca"),
tile_colour=c("green","darkslategrey","navyblue","purple"))