tanu/LSHTM_analysis
1
0
Fork 0
Code Issues Pull requests Releases Wiki Activity

saving changes

Browse source
This commit is contained in:
Tanushree Tunstall 2022-02-14 11:14:40 +00:00
parent 6ffb084546
commit 18e1f14455
7 changed files with 26 additions and 228 deletions
Download patch file Download diff file Expand all files Collapse all files

4
config/embb.R
View file

@ -108,3 +108,7 @@ cat("\n==================================================="
, aa_pos_dsl, "\n"
)
##############################################################
# var for position customisation for plots
aa_pos_lig1 = aa_pos_ca
aa_pos_lig2 = aa_pos_cdl
aa_pos_lig3 = aa_pos_dsl

9
config/gid.R
View file

@ -80,12 +80,13 @@ aa_pos_sry = sort(unique(c(
aa_ligplus_sry
, aa_plip_sry
, aa_arpeg_sry)))
aa_pos_drug = aa_pos_sry
aa_pos_sry_hbond = sort(unique(c(
aa_ligplus_sry_hbond
, aa_plip_sry_hbond)))
aa_pos_drug = aa_pos_sry
aa_pos_rna = sort(unique(c(
aa_ligplus_rna
@ -127,3 +128,7 @@ cat("\n==================================================="
, aa_pos_amp, "\n")
##############################################################
# var for position customisation for plots
aa_pos_lig1 = aa_pos_rna
aa_pos_lig2 = aa_pos_sam
aa_pos_lig3 = aa_pos_amp

2
config/katg.R
View file

@ -102,3 +102,5 @@ cat("\n==================================================="
, aa_pos_hem, "\n")
##############################################################
# var for position customisation for plots
aa_pos_lig1 = aa_pos_hem

14
config/pnca.R
View file

@ -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