summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/test_ala_l_aminoacid.mmp
blob: ae7410b32a08251d179a800f4557736cb9200bea (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
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) (0.582234, 0.652969, 0.295359, 0.383926) (6.382334) (-0.002500, 0.002500, 0.007500) (1.000000)
egroup (View Data)
group (ala)
info opengroup open = True
mol (ala.pdb) cpk
atom 1 (7) (-1183, 1898, 976) def
atom 2 (6) (-595, 384, 652) def
bond1 1
atom 3 (8) (2050, 37, 324) def
info atom atomtype = sp2
atom 4 (8) (573, 457, -1496) def
atom 5 (6) (-1352, -725, 841) def
bond1 2
atom 6 (1) (-1850, 2364, 1169) def
bond1 1
atom 7 (1) (-1193, 1683, -289) def
bond1 1
atom 8 (1) (236, 451, 1638) def
bond1 2
atom 9 (1) (-1747, -984, 2040) def
bond1 5
atom 10 (1) (-634, -1644, 967) def
bond1 5
atom 11 (1) (-1207, -725, -68) def
bond1 5
atom 12 (1) (1007, 621, -2366) def
bond1 4
atom 13 (6) (747, 705, 128) def
info atom atomtype = sp2
bond1 4 2
bond2 3
egroup (ala)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part ala