summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/test_ile_l_aminoacid.mmp
blob: c92f7402290d3a45840367f4e08eca1d56b1873f (plain)
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
mmpformat 050502 required; 050706 preferred
kelvin 300
group (View Data)
info opengroup open = True
csys (HomeView) (1.000000, 0.000000, 0.000000, 0.000000) (10.000000) (0.000000, 0.000000, 0.000000) (1.000000)
csys (LastView) (0.910494, 0.221465, -0.210456, 0.278677) (7.632270) (0.083500, 0.138500, -0.464500) (1.000000)
egroup (View Data)
group (ile)
info opengroup open = True
mol (ile.pdb) cpk
atom 1 (7) (-1067, 2443, 705) def
atom 2 (6) (157, 820, 630) def
bond1 1
atom 3 (6) (1379, 839, -233) def
info atom atomtype = sp2
bond1 2
atom 4 (8) (2302, -381, -385) def
info atom atomtype = sp2
bond2 3
atom 5 (1) (-688, 2131, -601) def
bond1 1
atom 6 (8) (1410, 1515, -1181) def
bond1 3
atom 7 (1) (-229, 2930, 524) def
bond1 1
atom 8 (1) (539, 917, 1759) def
bond1 2
atom 9 (6) (-730, -946, 758) def
bond1 2
atom 10 (6) (-1225, -671, 2134) def
bond1 9
atom 11 (1) (346, -1631, 798) def
bond1 9
atom 12 (6) (-701, -1162, -668) def
bond1 9
atom 13 (1) (-443, -810, -1282) def
bond1 12
atom 14 (1) (-1774, 600, -580) def
bond1 12
atom 15 (6) (-2073, -1815, -705) def
bond1 12
atom 16 (1) (-575, -3154, -558) def
bond1 15
atom 17 (1) (-2606, -2466, -1598) def
bond1 15
atom 18 (1) (-2772, -2440, -217) def
bond1 15
atom 19 (1) (-502, -614, 2654) def
bond1 10
atom 20 (1) (-1963, -1635, 2444) def
bond1 10
atom 21 (1) (-2437, 360, 1531) def
bond1 10
atom 22 (1) (2149, 1216, -2232) def
bond1 6
egroup (ile)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part ile