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
|
load $TUT/1hpv.pdb
# get rid of solvent, ligands, etc.
remove not polymer
# measure as a complex
set dot_solvent,1
get_area all, load_b=1
# save areas in occupancy field
alter all, q=b
# then split apart into separate objects
extract chA, chain A
extract chB, chain B
# now re-measure
get_area chA, load_b=1
get_area chB, load_b=1
# subtract areas
alter all, b=b-q
# now color based on change in exposure
spectrum b, blue_red
# and splay apart
reset
orient
mset 1 x150
mview store, object=chA
mview store, object=chB
mview store, 15, object=chA
mview store, 15, object=chB
rotate y, -90, object=chA
translate [-15,0,0], object=chA
rotate y, 90, object=chB
translate [15,0,0], object=chB
mview store, 75, object=chA
mview store, 75, object=chB
mview store, 90, object=chA
mview store, 90, object=chB
zoom
show surface
set surface_solvent
mplay
mstop
|
