-
Notifications
You must be signed in to change notification settings - Fork 24
/
Copy path293.lib
196 lines (196 loc) · 4.25 KB
/
293.lib
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
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
!!index array str
"293"
!entry.293.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg
"C1" "c6" 0 1 131072 1 6 0.396300
"C2" "c6" 0 1 131072 2 6 -0.188400
"C3" "c6" 0 1 131072 3 6 0.167300
"C4" "c6" 0 1 131072 4 6 0.116300
"C5" "c6" 0 1 131072 5 6 0.103300
"C6" "c3" 0 1 131072 6 6 0.132300
"C7" "c3" 0 1 131072 7 6 0.132600
"O1" "oh" 0 1 131072 8 8 -0.663000
"O3" "oh" 0 1 131072 9 8 -0.630000
"O4" "oh" 0 1 131072 10 8 -0.703000
"O5" "os" 0 1 131072 11 8 -0.483000
"O6" "oh" 0 1 131072 12 8 -0.725000
"O7" "oh" 0 1 131072 13 8 -0.651000
"H1" "h2" 0 1 131072 14 1 0.105700
"H2" "hc" 0 1 131072 15 1 0.069200
"H2A" "hc" 0 1 131072 16 1 0.069200
"H3" "h1" 0 1 131072 17 1 0.082700
"H4" "h1" 0 1 131072 18 1 0.048700
"H5" "h1" 0 1 131072 19 1 0.057700
"H6" "h1" 0 1 131072 20 1 0.087700
"H71" "h1" 0 1 131072 21 1 0.054700
"H72" "h1" 0 1 131072 22 1 0.054700
"HO1" "ho" 0 1 131072 23 1 0.450000
"HO3" "ho" 0 1 131072 24 1 0.439000
"HO4" "ho" 0 1 131072 25 1 0.515000
"HO6" "ho" 0 1 131072 26 1 0.514000
"HO7" "ho" 0 1 131072 27 1 0.448000
!entry.293.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg
"C1" "c6" 0 -1 0.0
"C2" "c6" 0 -1 0.0
"C3" "c6" 0 -1 0.0
"C4" "c6" 0 -1 0.0
"C5" "c6" 0 -1 0.0
"C6" "c3" 0 -1 0.0
"C7" "c3" 0 -1 0.0
"O1" "oh" 0 -1 0.0
"O3" "oh" 0 -1 0.0
"O4" "oh" 0 -1 0.0
"O5" "os" 0 -1 0.0
"O6" "oh" 0 -1 0.0
"O7" "oh" 0 -1 0.0
"H1" "h2" 0 -1 0.0
"H2" "hc" 0 -1 0.0
"H2A" "hc" 0 -1 0.0
"H3" "h1" 0 -1 0.0
"H4" "h1" 0 -1 0.0
"H5" "h1" 0 -1 0.0
"H6" "h1" 0 -1 0.0
"H71" "h1" 0 -1 0.0
"H72" "h1" 0 -1 0.0
"HO1" "ho" 0 -1 0.0
"HO3" "ho" 0 -1 0.0
"HO4" "ho" 0 -1 0.0
"HO6" "ho" 0 -1 0.0
"HO7" "ho" 0 -1 0.0
!entry.293.unit.boundbox array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.293.unit.childsequence single int
2
!entry.293.unit.connect array int
0
0
!entry.293.unit.connectivity table int atom1x int atom2x int flags
1 2 1
1 8 1
1 11 1
1 14 1
2 3 1
2 15 1
2 16 1
3 4 1
3 9 1
3 17 1
4 5 1
4 10 1
4 18 1
5 6 1
5 11 1
5 19 1
6 7 1
6 12 1
6 20 1
7 13 1
7 21 1
7 22 1
8 23 1
9 24 1
10 25 1
12 26 1
13 27 1
!entry.293.unit.hierarchy table str abovetype int abovex str belowtype int belowx
"U" 0 "R" 1
"R" 1 "A" 1
"R" 1 "A" 2
"R" 1 "A" 3
"R" 1 "A" 4
"R" 1 "A" 5
"R" 1 "A" 6
"R" 1 "A" 7
"R" 1 "A" 8
"R" 1 "A" 9
"R" 1 "A" 10
"R" 1 "A" 11
"R" 1 "A" 12
"R" 1 "A" 13
"R" 1 "A" 14
"R" 1 "A" 15
"R" 1 "A" 16
"R" 1 "A" 17
"R" 1 "A" 18
"R" 1 "A" 19
"R" 1 "A" 20
"R" 1 "A" 21
"R" 1 "A" 22
"R" 1 "A" 23
"R" 1 "A" 24
"R" 1 "A" 25
"R" 1 "A" 26
"R" 1 "A" 27
!entry.293.unit.name single str
"293"
!entry.293.unit.positions table dbl x dbl y dbl z
27.689000 -17.384000 10.539000
26.410000 -17.645000 9.755000
26.031000 -16.487000 8.833000
26.006000 -15.193000 9.640000
27.354000 -15.027000 10.358000
27.428000 -13.782000 11.237000
28.819000 -13.596000 11.837000
28.849000 -17.508000 9.776000
24.823000 -16.736000 8.157000
25.770000 -14.117000 8.766000
27.617000 -16.140000 11.191000
26.433000 -13.764000 12.239000
28.946000 -12.369000 12.515000
27.783000 -18.111000 11.348000
26.505000 -18.573000 9.186000
25.600000 -17.797000 10.477000
26.780000 -16.376000 8.039000
25.210000 -15.280000 10.396000
28.134000 -14.918000 9.587000
27.229000 -12.914000 10.600000
29.060000 -14.443000 12.493000
29.558000 -13.592000 11.033000
28.706000 -17.198000 8.875000
24.134000 -16.900000 8.811000
25.349000 -13.403000 9.253000
26.525000 -14.562000 12.773000
28.309000 -12.364000 13.237000
!entry.293.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x
0 0 0 0 0 0
!entry.293.unit.residues table str name int seq int childseq int startatomx str restype int imagingx
"293" 1 28 1 "?" 0
!entry.293.unit.residuesPdbSequenceNumber array int
0
!entry.293.unit.solventcap array dbl
-1.000000
0.0
0.0
0.0
0.0
!entry.293.unit.velocities table dbl x dbl y dbl z
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0
0.0 0.0 0.0