-
Notifications
You must be signed in to change notification settings - Fork 2
/
colorcdr.pml
executable file
·77 lines (67 loc) · 2.73 KB
/
colorcdr.pml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
hide lines
show cartoon
cartoon loop
select bb, (not resn PRO and (name n+ca+c+o )) or (resn PRO and (name ca+c+o))
select bbn , (not resn PRO and (name n+c+o )) or (resn PRO and (name c+o)) or elem h*
bg_color white
select water, resname WAT
select light, chain L
select heavy, chain H
select ab, light or heavy
select antigen, not ab
select doc, resname DOC
select l1, light and resi 24-34
select l2, light and resi 50-56
select l3, light and resi 89-97
select h1, heavy and resi 26-35
select h2, heavy and resi 50-56
select h2new, heavy and resi 50-56
select h3, heavy and resi 95-102
select cdrl, l1 or l2 or l3
select cdrh, h1 or h2 or h3
select cdr, cdrl or cdrh
select chargedcdr, cdr and resname ASP+GLU+LYS+ARG
#select lightframework, light and not cdr
#select heavyframework, heavy and not cdr
#select lightframework, light and (resi 4-23 or resi 35-49 or resi 57-88 or resi 98-106)
select lightframework, light and (resi 4-6 or resi 10-23 or resi 35-38 or resi 45-49 or resi 57-66 or resi 71-88 or resi 98-105)
#select heavyframework, heavy and (resi 3-25 or resi 36-49 or resi 66-94 or resi 103-110)
select heavyframework, heavy and (resi 4-6 or resi 10-25 or resi 36-39 or resi 46-49 or resi 66-94 or resi 103-110)
select framework, lightframework or heavyframework
disable framework
select lbeta, light and (resi 35-38 or resi 45-49 or resi 84-88 or resi 98-105)
select hbeta, heavy and (resi 36-39 or resi 46-49 or resi 88-94 or resi 103-110)
select beta, lbeta or hbeta
select svrl, light and (not(framework or cdr))
select svrh, heavy and (not(framework or cdr))
select svr, svrl or svrh
select inner, heavy and name ca and (resi 36-39 or resi 46-49 or resi 85-94 or resi 103-110)
select outer, heavy and name ca and (resi 4-6 or resi 10-25 or resi 66-84)
color yellow, light
color blue, heavy
color orange, cdrl
color cyan, cdrh
color green, antigen
select vl, light and resi 38+98+44+95+36+43+46
select vh, heavy and resi 39+91+45+46+103+47+37+101
select l1s, light and (resi 21-23 or resi 35-37)
select l2s, light and (resi 47-49 or resi 57-59)
select l3s, light and (resi 86-88 or resi 98-100)
select h1s, heavy and (resi 23-25 or resi 36-38)
select h2s, heavy and (resi 47-49 or resi 66-68)
select h3s, heavy and (resi 92-94 or resi 103-105)
select ls, l1s or l2s or l3s
select hs, h1s or h2s or h3s
select stem, ls or hs
select hotspot_l, light and resi 50+53+92+96
select hotspot_h, heavy and resi 33+50+52+100+99
select hotspot_ab, hotspot_l or hotspot_h
select hotspot_anti, resi 682+684+685+687+688+654
select hotspot, hotspot_anti or hotspot_ab
disable hotspot
#color red, hotspot
select heavystem, heavy and (resi 23-25 or resi 47-49 or resi 92-94 or resi 36-38 or resi 66-68 or resi 103-105)
disable heavystem
zoom all
hide everything, not ab
zoom ab