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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.pdb

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