File: reordered.pdb.save

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 138,900 kB
  • sloc: cpp: 145,621; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (101 lines) | stat: -rw-r--r-- 7,715 bytes parent folder | download
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
MODEL     1
ATOM      1  C7 UNK1 X   1      18.129  18.364  42.117  1.00  0.00           C  
ATOM      2  C10UNK1 X   1      16.974  17.002  43.663  1.00  0.00           C  
ATOM      3  C6 UNK1 X   1      17.429  19.482  42.551  1.00  0.00           C  
ATOM      4  C9 UNK1 X   1      16.287  18.098  44.104  1.00  0.00           C  
ATOM      5  C16UNK1 X   1      16.574  10.869  38.729  1.00  0.00           C  
ATOM      6  C14UNK1 X   1      16.305  12.813  40.075  1.00  0.00           C  
ATOM      7  C17UNK1 X   1      18.504  11.980  39.572  1.00  0.00           C  
ATOM      8  C8 UNK1 X   1      17.911  17.128  42.677  1.00  0.00           C  
ATOM      9  C15UNK1 X   1      15.740  11.790  39.338  1.00  0.00           C  
ATOM     10  C18UNK1 X   1      17.943  10.965  38.850  1.00  0.00           C  
ATOM     11  C13UNK1 X   1      17.687  12.897  40.184  1.00  0.00           C  
ATOM     12  C5 UNK1 X   1      16.518  19.347  43.561  1.00  0.00           C  
ATOM     13  C12UNK1 X   1      17.794  15.015  41.348  1.00  0.00           C  
ATOM     14  C1 UNK1 X   1      16.125  22.288  42.734  1.00  0.00           C  
ATOM     15  C19UNK1 X   1      14.264  11.669  39.184  1.00  0.00           C  
ATOM     16  C20UNK1 X   1      18.875   9.999  38.203  1.00  0.00           C  
ATOM     17  C3 UNK1 X   1      17.457  22.149  44.753  1.00  0.00           C  
ATOM     18  C4 UNK1 X   1      15.001  22.544  44.784  1.00  0.00           C  
ATOM     19  C11UNK1 X   1      18.668  15.918  42.189  1.00  0.00           C  
ATOM     20  C2 UNK1 X   1      16.129  21.754  44.145  1.00  0.00           C  
ATOM     21  N1 UNK1 X   1      18.396  13.885  40.893  1.00  0.00           N  
ATOM     22  O1 UNK1 X   1      15.213  21.822  41.988  1.00  0.00           O  
ATOM     23  O4 UNK1 X   1      16.617  15.244  41.159  1.00  0.00           O  
ATOM     24  O2 UNK1 X   1      17.009  23.134  42.471  1.00  0.00           O  
ATOM     25  O3 UNK1 X   1      15.720  20.368  44.073  1.00  0.00           O  
ATOM     26  H8 UNK1 X   1      18.865  18.470  41.328  1.00  0.00           H  
ATOM     27  H10UNK1 X   1      16.788  16.032  44.109  1.00  0.00           H  
ATOM     28  H7 UNK1 X   1      17.615  20.452  42.105  1.00  0.00           H  
ATOM     29  H9 UNK1 X   1      15.550  17.985  44.891  1.00  0.00           H  
ATOM     30  H15UNK1 X   1      16.144  10.063  38.145  1.00  0.00           H  
ATOM     31  H14UNK1 X   1      15.673  13.549  40.560  1.00  0.00           H  
ATOM     32  H16UNK1 X   1      19.581  12.055  39.667  1.00  0.00           H  
ATOM     33  H17UNK1 X   1      13.873  10.957  39.915  1.00  0.00           H  
ATOM     34  H18UNK1 X   1      13.794  12.642  39.344  1.00  0.00           H  
ATOM     35  H19UNK1 X   1      14.025  11.316  38.177  1.00  0.00           H  
ATOM     36  H20UNK1 X   1      18.997  10.253  37.147  1.00  0.00           H  
ATOM     37  H21UNK1 X   1      19.849  10.038  38.697  1.00  0.00           H  
ATOM     38  H22UNK1 X   1      18.473   8.986  38.284  1.00  0.00           H  
ATOM     39  H1 UNK1 X   1      17.526  21.785  45.781  1.00  0.00           H  
ATOM     40  H2 UNK1 X   1      17.562  23.237  44.760  1.00  0.00           H  
ATOM     41  H3 UNK1 X   1      18.281  21.722  44.175  1.00  0.00           H  
ATOM     42  H4 UNK1 X   1      14.885  22.258  45.832  1.00  0.00           H  
ATOM     43  H5 UNK1 X   1      14.060  22.350  44.263  1.00  0.00           H  
ATOM     44  H6 UNK1 X   1      15.213  23.615  44.735  1.00  0.00           H  
ATOM     45  H11UNK1 X   1      19.520  16.238  41.584  1.00  0.00           H  
ATOM     46  H12UNK1 X   1      19.035  15.346  43.045  1.00  0.00           H  
ATOM     47  H13UNK1 X   1      19.383  13.728  41.071  1.00  0.00           H  
TER      48     UNK1 X   1 
ENDMDL
MODEL     2
ATOM      1  C7 UNK1 X   1       4.353  20.145  36.540  1.00  0.00           C  
ATOM      2  C10UNK1 X   1       5.136  18.183  35.451  1.00  0.00           C  
ATOM      3  C6 UNK1 X   1       5.341  20.904  35.924  1.00  0.00           C  
ATOM      4  C9 UNK1 X   1       6.112  18.937  34.836  1.00  0.00           C  
ATOM      5  C16UNK1 X   1       3.636  13.249  41.377  1.00  0.00           C  
ATOM      6  C14UNK1 X   1       2.175  14.755  40.226  1.00  0.00           C  
ATOM      7  C17UNK1 X   1       4.501  14.658  39.662  1.00  0.00           C  
ATOM      8  C8 UNK1 X   1       4.247  18.784  36.320  1.00  0.00           C  
ATOM      9  C15UNK1 X   1       2.372  13.788  41.182  1.00  0.00           C  
ATOM     10  C18UNK1 X   1       4.712  13.688  40.624  1.00  0.00           C  
ATOM     11  C13UNK1 X   1       3.237  15.190  39.476  1.00  0.00           C  
ATOM     12  C5 UNK1 X   1       6.211  20.291  35.059  1.00  0.00           C  
ATOM     13  C12UNK1 X   1       3.732  17.187  38.153  1.00  0.00           C  
ATOM     14  C1 UNK1 X   1       7.538  23.062  35.315  1.00  0.00           C  
ATOM     15  C19UNK1 X   1       1.214  13.347  41.986  1.00  0.00           C  
ATOM     16  C20UNK1 X   1       6.089  13.105  40.842  1.00  0.00           C  
ATOM     17  C3 UNK1 X   1       6.176  22.782  33.234  1.00  0.00           C  
ATOM     18  C4 UNK1 X   1       8.666  22.563  33.373  1.00  0.00           C  
ATOM     19  C11UNK1 X   1       3.177  17.964  36.988  1.00  0.00           C  
ATOM     20  C2 UNK1 X   1       7.340  22.274  34.048  1.00  0.00           C  
ATOM     21  N1 UNK1 X   1       2.918  16.165  38.520  1.00  0.00           N  
ATOM     22  O1 UNK1 X   1       8.394  22.505  36.058  1.00  0.00           O  
ATOM     23  O4 UNK1 X   1       4.793  17.455  38.679  1.00  0.00           O  
ATOM     24  O2 UNK1 X   1       6.860  24.110  35.477  1.00  0.00           O  
ATOM     25  O3 UNK1 X   1       7.291  20.882  34.393  1.00  0.00           O  
ATOM     26  H8 UNK1 X   1       3.659  20.628  37.219  1.00  0.00           H  
ATOM     27  H10UNK1 X   1       5.072  17.118  35.258  1.00  0.00           H  
ATOM     28  H7 UNK1 X   1       5.421  21.967  36.121  1.00  0.00           H  
ATOM     29  H9 UNK1 X   1       6.812  18.455  34.163  1.00  0.00           H  
ATOM     30  H15UNK1 X   1       3.785  12.493  42.139  1.00  0.00           H  
ATOM     31  H14UNK1 X   1       1.188  15.172  40.068  1.00  0.00           H  
ATOM     32  H16UNK1 X   1       5.330  15.011  39.059  1.00  0.00           H  
ATOM     33  H17UNK1 X   1       1.194  13.888  42.936  1.00  0.00           H  
ATOM     34  H18UNK1 X   1       0.287  13.545  41.441  1.00  0.00           H  
ATOM     35  H19UNK1 X   1       1.289  12.275  42.186  1.00  0.00           H  
ATOM     36  H20UNK1 X   1       6.167  12.141  40.334  1.00  0.00           H  
ATOM     37  H21UNK1 X   1       6.846  13.784  40.441  1.00  0.00           H  
ATOM     38  H22UNK1 X   1       6.266  12.963  41.911  1.00  0.00           H  
ATOM     39  H1 UNK1 X   1       6.059  22.184  32.326  1.00  0.00           H  
ATOM     40  H2 UNK1 X   1       6.340  23.824  32.947  1.00  0.00           H  
ATOM     41  H3 UNK1 X   1       5.252  22.721  33.814  1.00  0.00           H  
ATOM     42  H4 UNK1 X   1       8.715  22.061  32.403  1.00  0.00           H  
ATOM     43  H5 UNK1 X   1       9.493  22.207  33.992  1.00  0.00           H  
ATOM     44  H6 UNK1 X   1       8.786  23.638  33.215  1.00  0.00           H  
ATOM     45  H11UNK1 X   1       2.385  18.622  37.355  1.00  0.00           H  
ATOM     46  H12UNK1 X   1       2.751  17.259  36.270  1.00  0.00           H  
ATOM     47  H13UNK1 X   1       2.050  16.031  38.011  1.00  0.00           H  
TER      48     UNK1 X   1 
ENDMDL
END