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<!doctype html> |
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<html lang="en"> |
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<head> |
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<meta charset="utf-8" /> |
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<meta name="viewport" content="width=device-width, initial-scale=1" /> |
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<title>FRACTAL: example_1.pdb</title> |
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<style> |
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html, body { height: 100%; margin: 0; font-family: monospace; } |
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#viewport { width: 100%; height: calc(100% - 60px); } |
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#info { |
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position: fixed; |
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bottom: 0; |
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left: 0; |
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width: 100%; |
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height: 60px; |
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background: rgba(0,0,0,0.85); |
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color: #0f0; |
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padding: 12px 20px; |
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box-sizing: border-box; |
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font-size: 14px; |
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line-height: 1.5; |
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overflow: auto; |
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} |
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#info span { color: #0ff; font-weight: bold; } |
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</style> |
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<script src="https://unpkg.com/ngl@latest/dist/ngl.js"></script> |
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</head> |
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<body> |
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<div id="viewport"></div> |
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<div id="info">Click on atoms to see details...</div> |
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<script> |
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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"; |
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const blob = new Blob([pdbText], { type: 'text/plain' }); |
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const stage = new NGL.Stage('viewport'); |
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const infoBox = document.getElementById('info'); |
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window.addEventListener('resize', function () { stage.handleResize(); }, false); |
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stage.loadFile(blob, { ext: 'pdb' }).then(function (o) { |
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o.addRepresentation('cartoon', { colorScheme: 'chainindex' }); |
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o.addRepresentation('ball+stick', { sele: 'hetero and not water' }); |
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stage.signals.clicked.add(function (pickingProxy) { |
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if (pickingProxy && pickingProxy.atom) { |
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const atom = pickingProxy.atom; |
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const resname = atom.resname || 'UNK'; |
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const resno = atom.resno !== undefined ? atom.resno : '?'; |
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const chain = atom.chainname || 'A'; |
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const atomname = atom.atomname || '?'; |
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const element = atom.element || '?'; |
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infoBox.innerHTML = |
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'<span>Atom:</span> ' + atomname + |
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' <span>Residue:</span> ' + resname + |
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' <span>Position:</span> ' + resno + |
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' <span>Chain:</span> ' + chain + |
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' <span>Element:</span> ' + element; |
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} else { |
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infoBox.innerHTML = 'Click on atoms to see details...'; |
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} |
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}); |
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stage.autoView(); |
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}); |
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</script> |
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</body> |
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</html> |
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