summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/trp_l_aminoacid.mmp
blob: f0682bd54bc6416f12f11e73e4dddb03125e61e0 (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
70
71
72
73
74
75
76
77
78
79
80
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) (-0.667991, 0.369528, 0.376107, -0.525148) (8.962008) (-0.000000, -0.000000, -0.000000) (1.000000)
egroup (View Data)
group (trp)
info opengroup open = True
mol (trp.pdb) cpk
atom 1 (7) (674, 1181, -2133) def
atom 2 (6) (1877, 1182, -1303) def
bond1 1
atom 3 (6) (3115, 1049, -2177) def
info atom atomtype = sp2
bond1 2
atom 4 (8) (4148, 1664, -2033) def
info atom atomtype = sp2
bond2 3
atom 5 (8) (2967, 84, -3122) def
bond1 3
atom 6 (6) (1949, 90, -185) def
bond1 2
atom 7 (6) (854, 205, 835) def
info atom atomtype = sp2
bond1 6
atom 8 (6) (924, 888, 2025) def
info atom atomtype = sp2
bond2 7
atom 9 (6) (-480, -351, 769) def
info atom atomtype = sp2
bond1 7
atom 10 (7) (-279, 797, 2700) def
bond1 8
atom 11 (6) (-1159, 38, 1958) def
info atom atomtype = sp2
bond1 10
bonda 9
atom 12 (6) (-1163, -1155, -163) def
info atom atomtype = sp2
bonda 9
atom 13 (6) (-2478, -345, 2229) def
info atom atomtype = sp2
bonda 11
atom 14 (6) (-3123, -1135, 1286) def
info atom atomtype = sp2
bonda 13
atom 15 (6) (-2471, -1538, 102) def
info atom atomtype = sp2
bonda 12 14
atom 16 (1) (-146, 1228, -1533) def
bond1 1
atom 17 (1) (617, 307, -2650) def
bond1 1
atom 18 (1) (1959, 2160, -818) def
bond1 2
atom 19 (1) (3808, 52, -3609) def
bond1 5
atom 20 (1) (2924, 174, 311) def
bond1 6
atom 21 (1) (1924, -897, -664) def
bond1 6
atom 22 (1) (1754, 1433, 2454) def
bond1 8
atom 23 (1) (-466, 1188, 3609) def
bond1 10
atom 24 (1) (-672, -1473, -1079) def
bond1 12
atom 25 (1) (-2978, -37, 3143) def
bond1 13
atom 26 (1) (-4148, -1448, 1463) def
bond1 14
atom 27 (1) (-3005, -2160, -612) def
bond1 15
egroup (trp)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part trp