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Tanushree Tunstall 2022-02-14 11:14:40 +00:00
parent 6ffb084546
commit 18e1f14455
7 changed files with 26 additions and 228 deletions
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14
config/pnca.R
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@ -25,10 +25,10 @@ aa_pos_drug = aa_pos_pza
aa_arpeg = c(102)
##############################################################
active_aa_pos = sort(unique(c(metal_aa_pos
, catalytic_aa_pos
, substrate_aa_pos
, hbond_aa_pos
active_aa_pos = sort(unique(c(aa_pos_pza
, aa_pos_fe
, aa_pos_catalytic
, aa_pos_hbond
, aa_arpeg)))
##############################################################
cat("\nNo. of active site residues for gene"
@ -49,4 +49,8 @@ cat("\n==================================================="
, "\nH-bonding residues:" , length(aa_pos_hbond) , "\n"
, aa_pos_hbond , "\n")
##############################################################
##############################################################
# var for position customisation for plots
aa_pos_lig1 = aa_pos_fe
#aa_pos_lig2 = aa_pos_catalytic
#aa_pos_lig3 = aa_pos_hbond