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A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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CMMDE/examples/larutan/UreaAirAmonia/SistemLarutan/system_init.pdb

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2 years ago
HEADER
TITLE Built with Packmol
REMARK Packmol generated pdb file
REMARK Home-Page: http://www.ime.unicamp.br/~martinez/packmol
REMARK
ATOM 1 O SLV A 1 -6.462 -8.313 -8.094 1.00 0.00
ATOM 2 H SLV A 1 -5.611 -8.659 -7.818 1.00 0.00
ATOM 3 H1 SLV A 1 -6.315 -7.427 -8.428 1.00 0.00
ATOM 4 O SLV A 2 -7.270 0.619 -7.256 1.00 0.00
ATOM 5 H SLV A 2 -6.481 0.959 -7.684 1.00 0.00
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ATOM 7 O SLV A 3 -8.246 -3.902 -9.413 1.00 0.00
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ATOM 54 H1 SLV A 18 4.547 3.406 10.670 1.00 0.00
ATOM 55 O SLV A 19 3.765 4.158 2.084 1.00 0.00
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ATOM 289 O SLV A 97 -3.960 1.678 -5.963 1.00 0.00
ATOM 290 H SLV A 97 -3.684 1.500 -6.865 1.00 0.00
ATOM 291 H1 SLV A 97 -3.227 1.448 -5.390 1.00 0.00
ATOM 292 O SLV A 98 7.388 -4.143 7.587 1.00 0.00
ATOM 293 H SLV A 98 7.627 -4.063 8.513 1.00 0.00
ATOM 294 H1 SLV A 98 7.983 -4.783 7.193 1.00 0.00
ATOM 295 O SLV A 99 3.483 -2.758 -2.573 1.00 0.00
ATOM 296 H SLV A 99 3.136 -3.265 -1.836 1.00 0.00
ATOM 297 H1 SLV A 99 3.791 -1.920 -2.222 1.00 0.00
ATOM 298 O SLV A 100 -1.329 1.626 2.830 1.00 0.00
ATOM 299 H SLV A 100 -0.381 1.559 2.965 1.00 0.00
ATOM 300 H1 SLV A 100 -1.754 1.295 3.623 1.00 0.00
ATOM 301 C URA B 101 0.677 6.018 -6.425 1.00 0.00
ATOM 302 O URA B 101 0.094 5.079 -5.935 1.00 0.00
ATOM 303 N URA B 101 1.897 5.899 -7.026 1.00 0.00
ATOM 304 N1 URA B 101 0.170 7.285 -6.424 1.00 0.00
ATOM 305 H URA B 101 2.317 4.988 -7.054 1.00 0.00
ATOM 306 H1 URA B 101 2.386 6.673 -7.434 1.00 0.00
ATOM 307 H2 URA B 101 -0.724 7.432 -5.996 1.00 0.00
ATOM 308 H3 URA B 101 0.649 8.068 -6.829 1.00 0.00
ATOM 309 C URA B 102 1.670 -0.056 -4.617 1.00 0.00
ATOM 310 O URA B 102 0.779 0.733 -4.403 1.00 0.00
ATOM 311 N URA B 102 1.443 -1.384 -4.838 1.00 0.00
ATOM 312 N1 URA B 102 2.985 0.306 -4.658 1.00 0.00
ATOM 313 H URA B 102 0.494 -1.706 -4.818 1.00 0.00
ATOM 314 H1 URA B 102 2.177 -2.044 -5.016 1.00 0.00
ATOM 315 H2 URA B 102 3.210 1.271 -4.502 1.00 0.00
ATOM 316 H3 URA B 102 3.728 -0.344 -4.835 1.00 0.00
ATOM 317 C URA B 103 3.087 -6.943 -0.342 1.00 0.00
ATOM 318 O URA B 103 3.999 -6.899 -1.135 1.00 0.00
ATOM 319 N URA B 103 2.327 -8.060 -0.151 1.00 0.00
ATOM 320 N1 URA B 103 2.732 -5.879 0.436 1.00 0.00
ATOM 321 H URA B 103 2.543 -8.872 -0.698 1.00 0.00
ATOM 322 H1 URA B 103 1.570 -8.103 0.504 1.00 0.00
ATOM 323 H2 URA B 103 3.258 -5.031 0.337 1.00 0.00
ATOM 324 H3 URA B 103 1.977 -5.910 1.095 1.00 0.00
ATOM 325 C URA B 104 10.089 -8.694 0.040 1.00 0.00
ATOM 326 O URA B 104 10.681 -7.644 -0.058 1.00 0.00
ATOM 327 N URA B 104 9.545 -9.128 1.215 1.00 0.00
ATOM 328 N1 URA B 104 9.910 -9.543 -1.013 1.00 0.00
ATOM 329 H URA B 104 9.648 -8.542 2.022 1.00 0.00
ATOM 330 H1 URA B 104 9.053 -9.996 1.303 1.00 0.00
ATOM 331 H2 URA B 104 10.289 -9.274 -1.901 1.00 0.00
ATOM 332 H3 URA B 104 9.419 -10.414 -0.937 1.00 0.00
ATOM 333 C URA B 105 -0.196 -1.593 2.318 1.00 0.00
ATOM 334 O URA B 105 -0.932 -0.934 1.621 1.00 0.00
ATOM 335 N URA B 105 1.143 -1.346 2.421 1.00 0.00
ATOM 336 N1 URA B 105 -0.634 -2.646 3.068 1.00 0.00
ATOM 337 H URA B 105 1.519 -0.583 1.889 1.00 0.00
ATOM 338 H1 URA B 105 1.759 -1.888 2.996 1.00 0.00
ATOM 339 H2 URA B 105 -1.610 -2.873 3.032 1.00 0.00
ATOM 340 H3 URA B 105 -0.028 -3.195 3.648 1.00 0.00
ATOM 341 C URA B 106 4.633 7.362 9.085 1.00 0.00
ATOM 342 O URA B 106 4.648 6.696 8.076 1.00 0.00
ATOM 343 N URA B 106 5.765 7.675 9.780 1.00 0.00
ATOM 344 N1 URA B 106 3.483 7.863 9.623 1.00 0.00
ATOM 345 H URA B 106 6.639 7.331 9.430 1.00 0.00
ATOM 346 H1 URA B 106 5.759 8.227 10.617 1.00 0.00
ATOM 347 H2 URA B 106 2.620 7.664 9.152 1.00 0.00
ATOM 348 H3 URA B 106 3.464 8.416 10.459 1.00 0.00
ATOM 349 C URA B 107 -4.146 -6.678 1.299 1.00 0.00
ATOM 350 O URA B 107 -4.091 -7.330 0.283 1.00 0.00
ATOM 351 N URA B 107 -3.868 -7.202 2.529 1.00 0.00
ATOM 352 N1 URA B 107 -4.490 -5.357 1.313 1.00 0.00
ATOM 353 H URA B 107 -3.611 -8.170 2.577 1.00 0.00
ATOM 354 H1 URA B 107 -3.912 -6.667 3.375 1.00 0.00
ATOM 355 H2 URA B 107 -4.704 -4.920 0.437 1.00 0.00
ATOM 356 H3 URA B 107 -4.536 -4.812 2.153 1.00 0.00
ATOM 357 C URA B 108 -7.785 -4.117 -5.916 1.00 0.00
ATOM 358 O URA B 108 -6.819 -4.030 -6.637 1.00 0.00
ATOM 359 N URA B 108 -7.891 -5.055 -4.930 1.00 0.00
ATOM 360 N1 URA B 108 -8.862 -3.285 -6.020 1.00 0.00
ATOM 361 H URA B 108 -7.127 -5.695 -4.810 1.00 0.00
ATOM 362 H1 URA B 108 -8.689 -5.133 -4.329 1.00 0.00
ATOM 363 H2 URA B 108 -8.839 -2.575 -6.728 1.00 0.00
ATOM 364 H3 URA B 108 -9.666 -3.352 -5.425 1.00 0.00
ATOM 365 C URA B 109 -0.079 -8.731 -8.571 1.00 0.00
ATOM 366 O URA B 109 0.752 -8.013 -9.077 1.00 0.00
ATOM 367 N URA B 109 -0.915 -8.308 -7.579 1.00 0.00
ATOM 368 N1 URA B 109 -0.258 -10.031 -8.944 1.00 0.00
ATOM 369 H URA B 109 -0.826 -7.360 -7.264 1.00 0.00
ATOM 370 H1 URA B 109 -1.606 -8.898 -7.155 1.00 0.00
ATOM 371 H2 URA B 109 0.330 -10.395 -9.670 1.00 0.00
ATOM 372 H3 URA B 109 -0.945 -10.631 -8.528 1.00 0.00
ATOM 373 N AMK C 110 -2.386 -9.835 0.703 1.00 0.00
ATOM 374 H AMK C 110 -1.769 -10.637 0.676 1.00 0.00
ATOM 375 H1 AMK C 110 -3.324 -10.162 0.507 1.00 0.00
ATOM 376 H2 AMK C 110 -2.115 -9.213 -0.049 1.00 0.00
ATOM 377 N AMK C 111 7.231 -7.665 3.382 1.00 0.00
ATOM 378 H AMK C 111 7.425 -7.035 2.613 1.00 0.00
ATOM 379 H1 AMK C 111 6.261 -7.946 3.312 1.00 0.00
ATOM 380 H2 AMK C 111 7.339 -7.141 4.242 1.00 0.00
ATOM 381 N AMK C 112 7.464 6.040 4.931 1.00 0.00
ATOM 382 H AMK C 112 8.417 6.211 5.227 1.00 0.00
ATOM 383 H1 AMK C 112 7.226 6.741 4.241 1.00 0.00
ATOM 384 H2 AMK C 112 6.862 6.182 5.733 1.00 0.00
ATOM 385 N AMK C 113 -1.216 1.146 -0.367 1.00 0.00
ATOM 386 H AMK C 113 -1.972 0.487 -0.508 1.00 0.00
ATOM 387 H1 AMK C 113 -1.529 2.049 -0.698 1.00 0.00
ATOM 388 H2 AMK C 113 -0.442 0.855 -0.953 1.00 0.00
ATOM 389 N AMK C 114 3.121 -4.531 4.069 1.00 0.00
ATOM 390 H AMK C 114 3.343 -4.170 3.149 1.00 0.00
ATOM 391 H1 AMK C 114 2.151 -4.820 4.060 1.00 0.00
ATOM 392 H2 AMK C 114 3.207 -3.766 4.728 1.00 0.00
ATOM 393 N AMK C 115 -5.438 -7.423 5.533 1.00 0.00
ATOM 394 H AMK C 115 -6.361 -7.008 5.546 1.00 0.00
ATOM 395 H1 AMK C 115 -5.532 -8.393 5.806 1.00 0.00
ATOM 396 H2 AMK C 115 -4.882 -6.957 6.241 1.00 0.00
ATOM 397 N AMK C 116 2.365 -7.740 -5.367 1.00 0.00
ATOM 398 H AMK C 116 2.501 -8.717 -5.140 1.00 0.00
ATOM 399 H1 AMK C 116 1.609 -7.682 -6.037 1.00 0.00
ATOM 400 H2 AMK C 116 3.207 -7.411 -5.826 1.00 0.00
ATOM 401 N AMK C 117 7.998 4.971 -7.608 1.00 0.00
ATOM 402 H AMK C 117 9.009 5.027 -7.629 1.00 0.00
ATOM 403 H1 AMK C 117 7.651 5.827 -7.196 1.00 0.00
ATOM 404 H2 AMK C 117 7.745 4.208 -6.991 1.00 0.00
ATOM 405 N AMK C 118 -2.399 8.234 -1.783 1.00 0.00
ATOM 406 H AMK C 118 -1.594 7.674 -1.534 1.00 0.00
ATOM 407 H1 AMK C 118 -3.144 7.602 -2.046 1.00 0.00
ATOM 408 H2 AMK C 118 -2.154 8.778 -2.602 1.00 0.00
ATOM 409 N AMK C 119 9.273 2.289 1.861 1.00 0.00
ATOM 410 H AMK C 119 9.328 3.033 2.545 1.00 0.00
ATOM 411 H1 AMK C 119 8.344 2.307 1.461 1.00 0.00
ATOM 412 H2 AMK C 119 9.378 1.410 2.354 1.00 0.00
ATOM 413 N AMK C 120 9.188 -1.124 6.809 1.00 0.00
ATOM 414 H AMK C 120 8.372 -0.696 7.230 1.00 0.00
ATOM 415 H1 AMK C 120 8.984 -1.276 5.829 1.00 0.00
ATOM 416 H2 AMK C 120 9.316 -2.032 7.240 1.00 0.00
ATOM 417 N AMK C 121 6.555 -4.283 -7.539 1.00 0.00
ATOM 418 H AMK C 121 6.012 -3.489 -7.224 1.00 0.00
ATOM 419 H1 AMK C 121 5.960 -5.100 -7.494 1.00 0.00
ATOM 420 H2 AMK C 121 7.313 -4.417 -6.880 1.00 0.00
ATOM 421 N AMK C 122 -0.710 -8.072 -3.373 1.00 0.00
ATOM 422 H AMK C 122 -0.010 -8.549 -3.928 1.00 0.00
ATOM 423 H1 AMK C 122 -0.920 -7.194 -3.831 1.00 0.00
ATOM 424 H2 AMK C 122 -0.295 -7.857 -2.474 1.00 0.00
ATOM 425 N AMK C 123 -5.185 0.148 -2.399 1.00 0.00
ATOM 426 H AMK C 123 -6.010 -0.425 -2.524 1.00 0.00
ATOM 427 H1 AMK C 123 -5.492 1.104 -2.266 1.00 0.00
ATOM 428 H2 AMK C 123 -4.654 0.114 -3.261 1.00 0.00
ATOM 429 N AMK C 124 8.679 -6.804 -3.209 1.00 0.00
ATOM 430 H AMK C 124 8.252 -7.683 -2.945 1.00 0.00
ATOM 431 H1 AMK C 124 9.527 -6.698 -2.667 1.00 0.00
ATOM 432 H2 AMK C 124 8.046 -6.061 -2.936 1.00 0.00
END