summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/gly_l_aminoacid.mmp
blob: a24fe96070f21b15ea3102ff9e322be75bb4f857 (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
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) (0.666957, -0.567023, -0.280993, 0.393314) (6.143509) (-0.207500, 0.029500, -0.047000) (1.000000)
egroup (View Data)
group (gly)
info opengroup open = True
mol (gly.pdb) cpk
atom 1 (7) (-1277, 490, 728) def
atom 2 (6) (-217, -482, 958) def
bond1 1
atom 3 (6) (939, -526, -40) def
info atom atomtype = sp2
bond1 2
atom 4 (8) (2075, -853, 222) def
info atom atomtype = sp2
bond2 3
atom 5 (8) (549, -180, -1294) def
bond1 3
atom 6 (1) (-887, 1430, 747) def
bond1 1
atom 7 (1) (-1660, 365, -206) def
bond1 1
atom 8 (1) (230, -328, 1944) def
bond1 2
atom 9 (1) (-655, -1489, 970) def
bond1 2
atom 10 (1) (1342, -261, -1850) def
bond1 5
egroup (gly)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part gly