summaryrefslogtreecommitdiff
path: root/sim/src/tests/singlebond_stretch/HO_CH3.mmp
blob: 405c6ab9637e8c92ae2fc2cb133525043a35efb9 (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
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) (1.000000, 0.000000, 0.000000, 0.000000) (4.804391) (0.043500, -0.092500, -0.000000) (1.000000)
egroup (View Data)
group (HO_CH3_cs)
info opengroup open = True
mol (HO_CH3_cs.pdb) def
atom 1 (6) (-732, -2, 0) def
atom 2 (8) (694, 53, 0) def
bond1 1
atom 3 (1) (-1083, 1033, 0) def
bond1 1
atom 4 (1) (-1126, -503, 895) def
bond1 1
atom 5 (1) (-1126, -503, -895) def
bond1 1
atom 6 (1) (1039, -848, 0) def
bond1 2
egroup (HO_CH3_cs)
end1
group (Clipboard)
info opengroup open = False
egroup (Clipboard)
end molecular machine part HO_CH3_cs