File size: 19,798 Bytes
98d766a
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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
<!doctype html>
<html lang="en">
<head>
  <meta charset="utf-8" />
  <meta name="viewport" content="width=device-width, initial-scale=1" />
  <title>FRACTAL: example_1.pdb</title>
  <style>
    html, body { height: 100%; margin: 0; font-family: monospace; }
    #viewport { width: 100%; height: calc(100% - 60px); }
    #info { 
      position: fixed; 
      bottom: 0; 
      left: 0; 
      width: 100%; 
      height: 60px; 
      background: rgba(0,0,0,0.85); 
      color: #0f0; 
      padding: 12px 20px; 
      box-sizing: border-box;
      font-size: 14px;
      line-height: 1.5;
      overflow: auto;
    }
    #info span { color: #0ff; font-weight: bold; }
  </style>
  <script src="https://unpkg.com/ngl@latest/dist/ngl.js"></script>
</head>
<body>
  <div id="viewport"></div>
  <div id="info">Click on atoms to see details...</div>
  <script>
    const pdbText = "ATOM      1    N ALA A   1       0.000   0.000   0.000  1.00  0.00            N\nATOM      2   CA ALA A   1       1.458   0.000   0.000  1.00  0.00            C\nATOM      3    C ALA A   1       1.990   1.429   0.000  1.00  0.00            C\nATOM      4    O ALA A   1       3.198   1.651   0.000  1.00  0.00            O\nATOM      5    N ALA A   2       3.302   1.567  -0.158  1.00  0.00            N\nATOM      6   CA ALA A   2       4.179   0.414  -0.321  1.00  0.00            C\nATOM      7    C ALA A   2       5.183   0.344   0.824  1.00  0.00            C\nATOM      8    O ALA A   2       6.017  -0.558   0.876  1.00  0.00            O\nATOM      9    N ALA A   3       6.134  -0.579   0.715  1.00  0.00            N\nATOM     10   CA ALA A   3       6.208  -1.471  -0.436  1.00  0.00            C\nATOM     11    C ALA A   3       5.314  -2.688  -0.223  1.00  0.00            C\nATOM     12    O ALA A   3       5.232  -3.566  -1.080  1.00  0.00            O\nATOM     13    N ALA A   4       5.249  -3.551  -1.232  1.00  0.00            N\nATOM     14   CA ALA A   4       5.992  -3.342  -2.468  1.00  0.00            C\nATOM     15    C ALA A   4       5.055  -2.890  -3.582  1.00  0.00            C\nATOM     16    O ALA A   4       5.483  -2.658  -4.711  1.00  0.00            O\nATOM     17    N ALA A   5       5.485  -3.080  -4.825  1.00  0.00            N\nATOM     18   CA ALA A   5       6.782  -3.686  -5.103  1.00  0.00            C\nATOM     19    C ALA A   5       7.563  -2.838  -6.100  1.00  0.00            C\nATOM     20    O ALA A   5       8.686  -3.175  -6.469  1.00  0.00            O\nATOM     21    N ALA A   6       8.591  -3.432  -6.698  1.00  0.00            N\nATOM     22   CA ALA A   6       8.947  -4.817  -6.413  1.00  0.00            C\nATOM     23    C ALA A   6      10.386  -4.904  -5.916  1.00  0.00            C\nATOM     24    O ALA A   6      10.884  -5.988  -5.618  1.00  0.00            O\nATOM     25    N ALA A   7      10.874  -6.128  -5.745  1.00  0.00            N\nATOM     26   CA ALA A   7      10.075  -7.317  -6.018  1.00  0.00            C\nATOM     27    C ALA A   7      10.038  -8.226  -4.794  1.00  0.00            C\nATOM     28    O ALA A   7       9.415  -9.285  -4.815  1.00  0.00            O\nATOM     29    N ALA A   8       9.582  -9.458  -4.992  1.00  0.00            N\nATOM     30   CA ALA A   8       9.144  -9.911  -6.306  1.00  0.00            C\nATOM     31    C ALA A   8       7.623 -10.012  -6.354  1.00  0.00            C\nATOM     32    O ALA A   8       7.048 -10.377  -7.377  1.00  0.00            O\nATOM     33    N ALA A   9       7.124 -11.083  -6.962  1.00  0.00            N\nATOM     34   CA ALA A   9       7.987 -12.103  -7.547  1.00  0.00            C\nATOM     35    C ALA A   9       7.668 -12.282  -9.028  1.00  0.00            C\nATOM     36    O ALA A   9       8.285 -13.097  -9.710  1.00  0.00            O\nATOM     37    N ALA A  10       6.640 -13.073  -9.316  1.00  0.00            N\nATOM     38   CA ALA A  10       5.864 -13.731  -8.271  1.00  0.00            C\nATOM     39    C ALA A  10       6.158 -15.227  -8.253  1.00  0.00            C\nATOM     40    O ALA A  10       5.604 -15.968  -7.443  1.00  0.00            O\nATOM     41    N ALA A  11       5.281 -15.990  -7.608  1.00  0.00            N\nATOM     42   CA ALA A  11       4.106 -15.423  -6.957  1.00  0.00            C\nATOM     43    C ALA A  11       4.407 -15.109  -5.496  1.00  0.00            C\nATOM     44    O ALA A  11       3.546 -14.623  -4.766  1.00  0.00            O\nATOM     45    N ALA A  12       3.460 -15.428  -4.620  1.00  0.00            N\nATOM     46   CA ALA A  12       2.206 -16.042  -5.037  1.00  0.00            C\nATOM     47    C ALA A  12       1.021 -15.207  -4.564  1.00  0.00            C\nATOM     48    O ALA A  12      -0.132 -15.552  -4.813  1.00  0.00            O\nATOM     49    N ALA A  13       0.336 -15.691  -3.533  1.00  0.00            N\nATOM     50   CA ALA A  13       0.702 -16.950  -2.894  1.00  0.00            C\nATOM     51    C ALA A  13      -0.514 -17.865  -2.789  1.00  0.00            C\nATOM     52    O ALA A  13      -0.421 -18.980  -2.280  1.00  0.00            O\nATOM     53    N ALA A  14      -0.475 -18.785  -1.831  1.00  0.00            N\nATOM     54   CA ALA A  14       0.667 -18.908  -0.932  1.00  0.00            C\nATOM     55    C ALA A  14       1.538 -20.091  -1.340  1.00  0.00            C\nATOM     56    O ALA A  14       2.556 -20.369  -0.709  1.00  0.00            O\nATOM     57    N ALA A  15       2.284 -20.628  -0.380  1.00  0.00            N\nATOM     58   CA ALA A  15       2.266 -20.112   0.984  1.00  0.00            C\nATOM     59    C ALA A  15       3.372 -19.080   1.177  1.00  0.00            C\nATOM     60    O ALA A  15       3.530 -18.522   2.260  1.00  0.00            O\nATOM     61    N ALA A  16       4.175 -19.269   2.219  1.00  0.00            N\nATOM     62   CA ALA A  16       4.004 -20.399   3.124  1.00  0.00            C\nATOM     63    C ALA A  16       3.641 -19.911   4.522  1.00  0.00            C\nATOM     64    O ALA A  16       3.453 -20.708   5.438  1.00  0.00            O\nATOM     65    N ALA A  17       3.787 -20.791   5.507  1.00  0.00            N\nATOM     66   CA ALA A  17       4.266 -22.146   5.259  1.00  0.00            C\nATOM     67    C ALA A  17       3.835 -22.617   3.874  1.00  0.00            C\nATOM     68    O ALA A  17       4.139 -23.736   3.468  1.00  0.00            O\nATOM     69    N ALA A  18       4.640 -22.292   2.868  1.00  0.00            N\nATOM     70   CA ALA A  18       5.863 -21.528   3.081  1.00  0.00            C\nATOM     71    C ALA A  18       5.699 -20.580   4.264  1.00  0.00            C\nATOM     72    O ALA A  18       6.619 -19.843   4.612  1.00  0.00            O\nATOM     73    N ALA A  19       5.261 -21.124   5.395  1.00  0.00            N\nATOM     74   CA ALA A  19       4.956 -22.546   5.493  1.00  0.00            C\nATOM     75    C ALA A  19       3.521 -22.751   5.964  1.00  0.00            C\nATOM     76    O ALA A  19       3.062 -23.882   6.113  1.00  0.00            O\nATOM     77    N ALA A  20       2.709 -21.706   5.844  1.00  0.00            N\nATOM     78   CA ALA A  20       3.170 -20.437   5.292  1.00  0.00            C\nATOM     79    C ALA A  20       2.295 -19.292   5.790  1.00  0.00            C\nATOM     80    O ALA A  20       2.515 -18.134   5.441  1.00  0.00            O\nATOM     81    N ALA A  21       2.885 -18.407   6.587  1.00  0.00            N\nATOM     82   CA ALA A  21       4.289 -18.528   6.960  1.00  0.00            C\nATOM     83    C ALA A  21       4.429 -19.341   8.243  1.00  0.00            C\nATOM     84    O ALA A  21       5.535 -19.561   8.731  1.00  0.00            O\nATOM     85    N ALA A  22       5.653 -19.425   8.754  1.00  0.00            N\nATOM     86   CA ALA A  22       6.794 -18.776   8.120  1.00  0.00            C\nATOM     87    C ALA A  22       7.642 -19.800   7.375  1.00  0.00            C\nATOM     88    O ALA A  22       8.655 -19.458   6.769  1.00  0.00            O\nATOM     89    N ALA A  23       8.894 -19.943   7.796  1.00  0.00            N\nATOM     90   CA ALA A  23       9.423 -19.162   8.908  1.00  0.00            C\nATOM     91    C ALA A  23      10.633 -18.350   8.459  1.00  0.00            C\nATOM     92    O ALA A  23      11.228 -17.620   9.249  1.00  0.00            O\nATOM     93    N ALA A  24      11.355 -17.790   9.425  1.00  0.00            N\nATOM     94   CA ALA A  24      11.005 -17.948  10.832  1.00  0.00            C\nATOM     95    C ALA A  24      11.951 -17.133  11.709  1.00  0.00            C\nATOM     96    O ALA A  24      11.827 -17.129  12.931  1.00  0.00            O\nATOM     97    N ALA A  25      12.640 -16.176  11.097  1.00  0.00            N\nATOM     98   CA ALA A  25      12.496 -15.922   9.668  1.00  0.00            C\nATOM     99    C ALA A  25      13.815 -15.431   9.081  1.00  0.00            C\nATOM    100    O ALA A  25      13.909 -15.159   7.886  1.00  0.00            O\nATOM    101    N ALA A  26      13.756 -14.319   8.355  1.00  0.00            N\nATOM    102   CA ALA A  26      12.500 -13.612   8.136  1.00  0.00            C\nATOM    103    C ALA A  26      11.892 -14.012   6.796  1.00  0.00            C\nATOM    104    O ALA A  26      10.827 -13.528   6.419  1.00  0.00            O\nATOM    105    N ALA A  27      12.750 -14.267   5.815  1.00  0.00            N\nATOM    106   CA ALA A  27      14.192 -14.169   6.013  1.00  0.00            C\nATOM    107    C ALA A  27      14.932 -14.887   4.889  1.00  0.00            C\nATOM    108    O ALA A  27      16.161 -14.923   4.868  1.00  0.00            O\nATOM    109    N ALA A  28      15.627 -14.116   4.059  1.00  0.00            N\nATOM    110   CA ALA A  28      15.675 -12.668   4.217  1.00  0.00            C\nATOM    111    C ALA A  28      14.728 -11.993   3.230  1.00  0.00            C\nATOM    112    O ALA A  28      14.618 -10.770   3.199  1.00  0.00            O\nATOM    113    N ALA A  29      13.462 -11.879   3.616  1.00  0.00            N\nATOM    114   CA ALA A  29      13.009 -12.371   4.912  1.00  0.00            C\nATOM    115    C ALA A  29      13.040 -13.896   4.941  1.00  0.00            C\nATOM    116    O ALA A  29      12.694 -14.513   5.947  1.00  0.00            O\nATOM    117    N ALA A  30      14.244 -14.458   4.954  1.00  0.00            N\nATOM    118   CA ALA A  30      15.463 -13.658   4.940  1.00  0.00            C\nATOM    119    C ALA A  30      15.987 -13.512   3.516  1.00  0.00            C\nATOM    120    O ALA A  30      17.010 -12.872   3.284  1.00  0.00            O\nATOM    121    N ALA A  31      15.859 -12.310   2.964  1.00  0.00            N\nATOM    122   CA ALA A  31      15.252 -11.197   3.684  1.00  0.00            C\nATOM    123    C ALA A  31      14.026 -11.671   4.458  1.00  0.00            C\nATOM    124    O ALA A  31      13.366 -10.885   5.134  1.00  0.00            O\nATOM    125    N ALA A  32      14.163 -11.759   5.777  1.00  0.00            N\nATOM    126   CA ALA A  32      15.416 -11.422   6.441  1.00  0.00            C\nATOM    127    C ALA A  32      15.149 -10.581   7.685  1.00  0.00            C\nATOM    128    O ALA A  32      16.075 -10.190   8.392  1.00  0.00            O\nATOM    129    N ALA A  33      14.949  -9.283   7.485  1.00  0.00            N\nATOM    130   CA ALA A  33      14.985  -8.700   6.149  1.00  0.00            C\nATOM    131    C ALA A  33      16.154  -7.728   6.024  1.00  0.00            C\nATOM    132    O ALA A  33      16.363  -7.127   4.973  1.00  0.00            O\nATOM    133    N ALA A  34      15.908  -6.593   5.378  1.00  0.00            N\nATOM    134   CA ALA A  34      14.593  -6.298   4.822  1.00  0.00            C\nATOM    135    C ALA A  34      14.643  -6.318   3.298  1.00  0.00            C\nATOM    136    O ALA A  34      13.635  -6.093   2.632  1.00  0.00            O\nATOM    137    N ALA A  35      13.752  -5.557   2.671  1.00  0.00            N\nATOM    138   CA ALA A  35      12.783  -4.751   3.404  1.00  0.00            C\nATOM    139    C ALA A  35      11.468  -5.509   3.557  1.00  0.00            C\nATOM    140    O ALA A  35      10.516  -5.004   4.147  1.00  0.00            O\nATOM    141    N ALA A  36      10.411  -4.785   3.911  1.00  0.00            N\nATOM    142   CA ALA A  36      10.508  -3.348   4.138  1.00  0.00            C\nATOM    143    C ALA A  36      10.865  -3.063   5.593  1.00  0.00            C\nATOM    144    O ALA A  36      10.995  -1.908   5.994  1.00  0.00            O\nATOM    145    N ALA A  37      10.000  -2.318   6.274  1.00  0.00            N\nATOM    146   CA ALA A  37       8.781  -1.806   5.661  1.00  0.00            C\nATOM    147    C ALA A  37       8.670  -0.300   5.876  1.00  0.00            C\nATOM    148    O ALA A  37       7.711   0.330   5.436  1.00  0.00            O\nATOM    149    N ALA A  38       7.577   0.124   6.502  1.00  0.00            N\nATOM    150   CA ALA A  38       6.545  -0.802   6.954  1.00  0.00            C\nATOM    151    C ALA A  38       5.161  -0.275   6.589  1.00  0.00            C\nATOM    152    O ALA A  38       4.150  -0.909   6.882  1.00  0.00            O\nATOM    153    N ALA A  39       4.138  -0.808   7.249  1.00  0.00            N\nATOM    154   CA ALA A  39       4.333  -1.838   8.263  1.00  0.00            C\nATOM    155    C ALA A  39       3.921  -3.202   7.722  1.00  0.00            C\nATOM    156    O ALA A  39       4.007  -4.209   8.421  1.00  0.00            O\nATOM    157    N ALA A  40       3.917  -4.204   8.595  1.00  0.00            N\nATOM    158   CA ALA A  40       4.287  -4.003   9.991  1.00  0.00            C\nATOM    159    C ALA A  40       5.774  -4.278  10.192  1.00  0.00            C\nATOM    160    O ALA A  40       6.290  -4.166  11.301  1.00  0.00            O\nATOM    161    N ALA A  41       6.080  -5.313  10.968  1.00  0.00            N\nATOM    162   CA ALA A  41       5.049  -6.135  11.590  1.00  0.00            C\nATOM    163    C ALA A  41       5.426  -6.459  13.032  1.00  0.00            C\nATOM    164    O ALA A  41       4.688  -7.145  13.736  1.00  0.00            O\nATOM    165    N ALA A  42       4.760  -7.458  13.602  1.00  0.00            N\nATOM    166   CA ALA A  42       3.728  -8.198  12.886  1.00  0.00            C\nATOM    167    C ALA A  42       2.407  -7.436  12.920  1.00  0.00            C\nATOM    168    O ALA A  42       1.405  -7.889  12.372  1.00  0.00            O\nATOM    169    N ALA A  43       1.304  -8.176  12.959  1.00  0.00            N\nATOM    170   CA ALA A  43       1.358  -9.633  12.969  1.00  0.00            C\nATOM    171    C ALA A  43       1.485 -10.170  11.547  1.00  0.00            C\nATOM    172    O ALA A  43       1.547 -11.379  11.334  1.00  0.00            O\nATOM    173    N ALA A  44       0.997 -11.387  11.334  1.00  0.00            N\nATOM    174   CA ALA A  44       0.377 -12.162  12.402  1.00  0.00            C\nATOM    175    C ALA A  44      -0.880 -12.859  11.892  1.00  0.00            C\nATOM    176    O ALA A  44      -1.555 -13.565  12.638  1.00  0.00            O\nATOM    177    N ALA A  45      -1.871 -12.067  11.495  1.00  0.00            N\nATOM    178   CA ALA A  45      -1.757 -10.614  11.546  1.00  0.00            C\nATOM    179    C ALA A  45      -2.200 -10.094  12.910  1.00  0.00            C\nATOM    180    O ALA A  45      -2.181  -8.891  13.161  1.00  0.00            O\nATOM    181    N ALA A  46      -2.980  -9.018  12.902  1.00  0.00            N\nATOM    182   CA ALA A  46      -3.386  -8.374  11.658  1.00  0.00            C\nATOM    183    C ALA A  46      -2.178  -7.762  10.958  1.00  0.00            C\nATOM    184    O ALA A  46      -2.304  -7.170   9.888  1.00  0.00            O\nATOM    185    N ALA A  47      -1.996  -8.110   9.688  1.00  0.00            N\nATOM    186   CA ALA A  47      -2.904  -9.026   9.008  1.00  0.00            C\nATOM    187    C ALA A  47      -4.291  -8.404   8.881  1.00  0.00            C\nATOM    188    O ALA A  47      -5.207  -9.015   8.335  1.00  0.00            O\nATOM    189    N ALA A  48      -5.129  -9.005   8.043  1.00  0.00            N\nATOM    190   CA ALA A  48      -4.740 -10.192   7.291  1.00  0.00            C\nATOM    191    C ALA A  48      -4.208  -9.800   5.917  1.00  0.00            C\nATOM    192    O ALA A  48      -3.825 -10.656   5.122  1.00  0.00            O\nATOM    193    N ALA A  49      -4.334  -8.520   5.582  1.00  0.00            N\nATOM    194   CA ALA A  49      -4.948  -7.550   6.481  1.00  0.00            C\nATOM    195    C ALA A  49      -6.380  -7.255   6.047  1.00  0.00            C\nATOM    196    O ALA A  49      -7.076  -6.460   6.675  1.00  0.00            O\nATOM    197    N ALA A  50      -6.696  -7.589   4.801  1.00  0.00            N\nATOM    198   CA ALA A  50      -5.725  -8.203   3.902  1.00  0.00            C\nATOM    199    C ALA A  50      -6.078  -7.898   2.450  1.00  0.00            C\nATOM    200    O ALA A  50      -5.383  -8.325   1.531  1.00  0.00            O\nATOM    201    N ALA A  51      -5.130  -8.144   1.552  1.00  0.00            N\nATOM    202   CA ALA A  51      -3.828  -8.674   1.938  1.00  0.00            C\nATOM    203    C ALA A  51      -2.710  -7.838   1.325  1.00  0.00            C\nATOM    204    O ALA A  51      -1.531  -8.118   1.528  1.00  0.00            O\nATOM    205    N ALA A  52      -3.091  -6.789   0.602  1.00  0.00            N\nATOM    206   CA ALA A  52      -4.498  -6.461   0.411  1.00  0.00            C\nATOM    207    C ALA A  52      -4.700  -5.738  -0.917  1.00  0.00            C\nATOM    208    O ALA A  52      -5.818  -5.372  -1.271  1.00  0.00            O\nATOM    209    N ALA A  53      -4.447  -6.444  -2.014  1.00  0.00            N\nATOM    210   CA ALA A  53      -4.002  -7.831  -1.947  1.00  0.00            C\nATOM    211    C ALA A  53      -2.480  -7.899  -1.892  1.00  0.00            C\nATOM    212    O ALA A  53      -1.900  -8.981  -1.832  1.00  0.00            O\nATOM    213    N ALA A  54      -1.877  -8.408  -2.962  1.00  0.00            N\nATOM    214   CA ALA A  54      -2.632  -8.873  -4.119  1.00  0.00            C\nATOM    215    C ALA A  54      -1.722  -9.634  -5.077  1.00  0.00            C\nATOM    216    O ALA A  54      -2.164 -10.111  -6.119  1.00  0.00            O\nEND\n";
    const blob = new Blob([pdbText], { type: 'text/plain' });
    const stage = new NGL.Stage('viewport');
    const infoBox = document.getElementById('info');

    window.addEventListener('resize', function () { stage.handleResize(); }, false);

    stage.loadFile(blob, { ext: 'pdb' }).then(function (o) {
      o.addRepresentation('cartoon', { colorScheme: 'chainindex' });
      o.addRepresentation('ball+stick', { sele: 'hetero and not water' });
      
      // Add click handler for atom picking
      stage.signals.clicked.add(function (pickingProxy) {
        if (pickingProxy && pickingProxy.atom) {
          const atom = pickingProxy.atom;
          const resname = atom.resname || 'UNK';
          const resno = atom.resno !== undefined ? atom.resno : '?';
          const chain = atom.chainname || 'A';
          const atomname = atom.atomname || '?';
          const element = atom.element || '?';
          
          infoBox.innerHTML = 
            '<span>Atom:</span> ' + atomname + 
            ' &nbsp;&nbsp;<span>Residue:</span> ' + resname + 
            ' &nbsp;&nbsp;<span>Position:</span> ' + resno + 
            ' &nbsp;&nbsp;<span>Chain:</span> ' + chain +
            ' &nbsp;&nbsp;<span>Element:</span> ' + element;
        } else {
          infoBox.innerHTML = 'Click on atoms to see details...';
        }
      });
      
      stage.autoView();
    });
  </script>
</body>
</html>