summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/test_phe_l_aminoacid.mmp
blob: 7f5efeb6e7351a23857f7e77bbb8937d2d5de222 (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
63
64
65
66
67
68
69
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) (-0.349564, -0.669274, 0.655084, 0.027243) (8.332322) (-0.025500, 0.041000, -0.032500) (1.000000)
egroup (View Data)
group (phe)
info opengroup open = True
mol (phe.pdb) cpk
atom 1 (7) (2242, 1670, 435) def
atom 2 (6) (678, 1008, 1446) def
bond1 1
atom 3 (6) (1093, 2015, 3104) def
info atom atomtype = sp2
bond1 2
atom 4 (8) (1038, 1763, 3829) def
info atom atomtype = sp2
bond2 3
atom 5 (8) (2350, 311, 3587) def
bond1 3
atom 6 (6) (571, -563, 998) def
bond1 2
atom 7 (6) (-227, -121, -189) def
info atom atomtype = sp2
bond1 6
atom 8 (6) (-910, -964, -3134) def
info atom atomtype = sp2
atom 9 (6) (-1532, 151, -193) def
info atom atomtype = sp2
bonda 7
atom 10 (6) (322, -1835, -1677) def
info atom atomtype = sp2
bonda 7
atom 11 (6) (-607, -1330, -2360) def
info atom atomtype = sp2
bonda 8 10
atom 12 (6) (-1685, -367, -2212) def
info atom atomtype = sp2
bonda 8 9
atom 13 (1) (2212, 850, -215) def
bond1 1
atom 14 (1) (2505, 423, 673) def
bond1 1
atom 15 (1) (534, 1459, 836) def
bond1 2
atom 16 (1) (-233, -201, 2157) def
bond1 6
atom 17 (1) (1275, -1496, 1126) def
bond1 6
atom 18 (1) (-2573, 213, 198) def
bond1 9
atom 19 (1) (1531, -1050, -1586) def
bond1 10
atom 20 (1) (559, -1987, -2978) def
bond1 11
atom 21 (1) (-3338, 354, -2089) def
bond1 12
atom 22 (1) (-2106, -886, -4101) def
bond1 8
atom 23 (1) (2913, 508, 3985) def
bond1 5
egroup (phe)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part phe