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5 % We define a reference frame attache to each C atom with the
6 % X axis along one of the C-C bonds and with the X-Y plane in
7 % the planed defined by the two bonds coincident in the C.
9 % All distances are in Amstrongs and all angles are in radiants
14 % H-C distance for C the neighbouring C of the C to which H
22 BBa:=1.911135530933790887
25 % The firts CC bond is aligned with the X axis and has lenght CCb
26 % The second is in the XY plane at position:
30 % x-y-z position of one of the H w.r.t. a frame attached to the C
31 % The second H is symmetrically placed (w.r.t. the X-Y plane).
32 % This H is at (Hx,Hy,Hz) that is at the intersection of three circunferences
33 % Hx^2+Hy^2+Hz^2=HCb^2
34 % (Hx-CCb)^2+Hy^2+Hz^2=HCb2^2
35 % (Hx-CC2x)^2+(Hy-CC2y)^2+Hz^2=HCb2^2
37 Hx:=(HCb^2-HCb2^2+CCb^2)/(2*CCb)
38 Hy:=((Hx-CC2x)^2-(Hx-CCb)^2+CC2y^2)/(2*CC2y)
41 % Radious of the spheres representing atoms (75% Van der Waals radii)
45 % Radii of the cylinders representing bonds
49 % Colors for the atoms (Carbon/Hydrogen)
60 C1 : sphere rC (0,0,0) color (Cr,Cg,Cb)
61 cylinder rCC (0,0,0) (CCb/2,0,0) color (Cr,Cg,Cb) decoration
62 cylinder rCC (0,0,0) (CC2x/2,CC2y/2,0) color (Cr,Cg,Cb) decoration
63 cylinder rCH (0,0,0) (Hx/2,Hy/2,Hz/2) color (Cr,Cg,Cb) decoration
64 cylinder rCH (Hx/2,Hy/2,Hz/2) (Hx,Hy,Hz) color (Hr,Hg,Hb) decoration
65 sphere rH (Hx,Hy,Hz) color (Hr,Hg,Hb)
66 cylinder rCH (0,0,0) (Hx/2,Hy/2,-Hz/2) color (Cr,Cg,Cb) decoration
67 cylinder rCH (Hx/2,Hy/2,-Hz/2) (Hx,Hy,-Hz) color (Hr,Hg,Hb) decoration
68 sphere rH (Hx,Hy,-Hz) color (Hr,Hg,Hb)
70 C2 : sphere rC (0,0,0) color (Cr,Cg,Cb)
71 cylinder rCC (0,0,0) (CCb/2,0,0) color (Cr,Cg,Cb) decoration
72 cylinder rCC (0,0,0) (CC2x/2,CC2y/2,0) color (Cr,Cg,Cb) decoration
73 cylinder rCH (0,0,0) (Hx/2,Hy/2,Hz/2) color (Cr,Cg,Cb) decoration
74 cylinder rCH (Hx/2,Hy/2,Hz/2) (Hx,Hy,Hz) color (Hr,Hg,Hb) decoration
75 sphere rH (Hx,Hy,Hz) color (Hr,Hg,Hb)
76 cylinder rCH (0,0,0) (Hx/2,Hy/2,-Hz/2) color (Cr,Cg,Cb) decoration
77 cylinder rCH (Hx/2,Hy/2,-Hz/2) (Hx,Hy,-Hz) color (Hr,Hg,Hb) decoration
78 sphere rH (Hx,Hy,-Hz) color (Hr,Hg,Hb)
80 C3 : sphere rC (0,0,0) color (Cr,Cg,Cb)
81 cylinder rCC (0,0,0) (CCb/2,0,0) color (Cr,Cg,Cb) decoration
82 cylinder rCC (0,0,0) (CC2x/2,CC2y/2,0) color (Cr,Cg,Cb) decoration
83 cylinder rCH (0,0,0) (Hx/2,Hy/2,Hz/2) color (Cr,Cg,Cb) decoration
84 cylinder rCH (Hx/2,Hy/2,Hz/2) (Hx,Hy,Hz) color (Hr,Hg,Hb) decoration
85 sphere rH (Hx,Hy,Hz) color (Hr,Hg,Hb)
86 cylinder rCH (0,0,0) (Hx/2,Hy/2,-Hz/2) color (Cr,Cg,Cb) decoration
87 cylinder rCH (Hx/2,Hy/2,-Hz/2) (Hx,Hy,-Hz) color (Hr,Hg,Hb) decoration
88 sphere rH (Hx,Hy,-Hz) color (Hr,Hg,Hb)
90 C4 : sphere rC (0,0,0) color (Cr,Cg,Cb)
91 cylinder rCC (0,0,0) (CCb/2,0,0) color (Cr,Cg,Cb) decoration
92 cylinder rCC (0,0,0) (CC2x/2,CC2y/2,0) color (Cr,Cg,Cb) decoration
93 cylinder rCH (0,0,0) (Hx/2,Hy/2,Hz/2) color (Cr,Cg,Cb) decoration
94 cylinder rCH (Hx/2,Hy/2,Hz/2) (Hx,Hy,Hz) color (Hr,Hg,Hb) decoration
95 sphere rH (Hx,Hy,Hz) color (Hr,Hg,Hb)
96 cylinder rCH (0,0,0) (Hx/2,Hy/2,-Hz/2) color (Cr,Cg,Cb) decoration
97 cylinder rCH (Hx/2,Hy/2,-Hz/2) (Hx,Hy,-Hz) color (Hr,Hg,Hb) decoration
98 sphere rH (Hx,Hy,-Hz) color (Hr,Hg,Hb)
100 C5 : sphere rC (0,0,0) color (Cr,Cg,Cb)
101 cylinder rCC (0,0,0) (CCb/2,0,0) color (Cr,Cg,Cb) decoration
102 cylinder rCC (0,0,0) (CC2x/2,CC2y/2,0) color (Cr,Cg,Cb) decoration
103 cylinder rCH (0,0,0) (Hx/2,Hy/2,Hz/2) color (Cr,Cg,Cb) decoration
104 cylinder rCH (Hx/2,Hy/2,Hz/2) (Hx,Hy,Hz) color (Hr,Hg,Hb) decoration
105 sphere rH (Hx,Hy,Hz) color (Hr,Hg,Hb)
106 cylinder rCH (0,0,0) (Hx/2,Hy/2,-Hz/2) color (Cr,Cg,Cb) decoration
107 cylinder rCH (Hx/2,Hy/2,-Hz/2) (Hx,Hy,-Hz) color (Hr,Hg,Hb) decoration
108 sphere rH (Hx,Hy,-Hz) color (Hr,Hg,Hb)
110 C6 : sphere rC (0,0,0) color (Cr,Cg,Cb)
111 cylinder rCC (0,0,0) (CCb/2,0,0) color (Cr,Cg,Cb) decoration
112 cylinder rCC (0,0,0) (CC2x/2,CC2y/2,0) color (Cr,Cg,Cb) decoration
113 cylinder rCH (0,0,0) (Hx/2,Hy/2,Hz/2) color (Cr,Cg,Cb) decoration
114 cylinder rCH (Hx/2,Hy/2,Hz/2) (Hx,Hy,Hz) color (Hr,Hg,Hb) decoration
115 sphere rH (Hx,Hy,Hz) color (Hr,Hg,Hb)
116 cylinder rCH (0,0,0) (Hx/2,Hy/2,-Hz/2) color (Cr,Cg,Cb) decoration
117 cylinder rCH (Hx/2,Hy/2,-Hz/2) (Hx,Hy,-Hz) color (Hr,Hg,Hb) decoration
118 sphere rH (Hx,Hy,-Hz) color (Hr,Hg,Hb)
123 % We define the revolute joints trying to use as much zeros as possible
124 % in the two first points of the two axes in local coordinates. This produces
125 % simpler equation sets.
126 revolute: C1 (CCb,0,0) (0,0,0)
127 C2 (0,0,0) (CC2x,CC2y,0)
129 revolute: C2 (CCb,0,0) (0,0,0)
130 C3 (0,0,0) (CC2x,CC2y,0)
132 revolute: C3 (CCb,0,0) (0,0,0)
133 C4 (0,0,0) (CC2x,CC2y,0)
135 revolute: C4 (CCb,0,0) (0,0,0)
136 C5 (0,0,0) (CC2x,CC2y,0)
138 revolute: C5 (CCb,0,0) (0,0,0)
139 C6 (0,0,0) (CC2x,CC2y,0)
141 revolute: C6 (CCb,0,0) (0,0,0)
142 C1 (0,0,0) (CC2x,CC2y,0)
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