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[交流]
【求助】3D原子圖 已有2人參與
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http://www.namipan.com/d/data.me ... c56dfc4f302b81b0000 新手，往賜教。 已知原子的三維坐標(biāo)，怎么用MS,或者VMD畫(huà)圖。對(duì)數(shù)據(jù)的格式有要求嗎？ 數(shù)據(jù)在鏈接中。 1 2 -2.9378454 -4.4592615 -4.8109196 2 2 5.6222143 -2.7335026 -1.7157569 3 2 -2.6614623 -5.5431059 1.6353686 4 2 -5.4326838 -4.6174577 5.9452279 5 2 5.8679239 -0.1120535 -3.5839373 6 2 -3.7174621 -0.6623311 -0.3714789 7 2 -5.0724728 -2.5671623 4.4103461 8 2 -3.3951436 0.9341126 4.9310702 9 2 -5.4347593 1.9523767 -5.6180938 10 2 -4.5884719 2.2904528 -1.0597739 11 2 -5.9058662 0.6212406 2.0127574 12 2 -4.7680660 0.1965740 4.3267764 13 2 -5.4228882 5.2569673 -4.5162920 14 2 -5.2683965 -5.9193658 -2.8648668 15 2 -2.8610884 1.0484664 2.0299077 16 2 -4.0711084 5.3133026 3.8009514 17 2 -0.1947147 -4.1677696 -5.6950931 18 2 -2.9892710 -3.1647368 -1.6173910 19 2 -0.9129311 -4.3819066 -0.1601859 20 2 -2.4513693 -5.2466501 4.8882912 21 2 -2.8879952 -0.1633446 -3.3401150 22 1 -4.6738762 -1.3807254 -2.2946777 23 2 -0.6973948 -1.4885343 0.6005156 24 1 -2.7392164 -2.4774843 0.2387186 25 2 -2.6551254 -2.7229952 2.6350264 26 1 -3.4644263 -4.6028144 3.3817786 27 2 0.7227614 -2.0709446 2.9214737 28 1 -2.1000577 -3.2131296 5.7273437 29 2 -3.1057649 2.3204819 -2.2725622 30 1 -2.2298751 0.7168389 -1.3107201 31 2 -1.8698261 1.4006751 0.7265108 32 1 -4.1103409 -0.7093340 1.9341753 33 2 -0.3505581 3.2707182 -0.2880656 34 1 -3.4045407 -1.4383961 4.3903527 35 2 -3.0940529 1.4132478 -5.3635505 36 1 -4.4560663 1.2072875 -3.7310176 37 2 -2.6061002 4.6373499 -4.6903941 38 1 -3.3477444 4.6768137 -2.6284678 39 2 0.8121697 4.8602418 -4.6710946 40 1 -2.5756922 3.3740738 -0.2136350 41 2 -0.3867976 5.8745611 -2.1119905 42 1 -1.6766249 1.3374292 3.8741477 43 2 -0.8770613 3.3735941 4.3846975 44 1 -1.8609254 3.3158245 -5.9786556 45 1 -5.2732321 -4.6073253 -0.9581754 46 1 -2.7888697 -5.6910152 -0.7922023 47 1 -2.4717165 4.5801880 2.5083210 48 1 -3.8819950 5.8456589 -5.7563384 49 2 2.2314782 -2.7729214 -5.2356862 50 2 0.2981976 -3.1385279 -3.1608167 51 2 2.8810785 -3.4658695 -0.5823196 52 2 0.2509625 -5.7595229 2.7389761 53 2 -0.2934120 -0.8029431 -3.3698507 54 1 -1.0075690 -2.0481922 -1.9419298 55 2 2.0729069 1.4922441 -2.3898096 56 1 1.1110944 -3.2004208 0.9491078 57 2 1.6774298 -0.7901860 2.5158773 58 1 -0.8342297 -4.3342518 2.0971458 59 2 3.2747406 -1.3107897 4.7884706 60 1 1.7126246 -3.3691471 4.5581012 61 2 0.4770605 1.7769008 -5.3339915 62 1 0.2944391 0.5892781 -2.2030106 63 2 2.2039275 3.1557557 -2.0276796 64 1 -0.0404494 0.4767818 1.0396418 65 2 1.1395867 2.3763443 2.3481007 66 1 -0.9738374 -1.6325161 3.7538567 67 2 -0.3291998 0.2996990 5.2770809 68 1 -1.6185604 -0.3964274 -5.1771220 69 2 2.5999949 -5.1977715 5.8230717 70 1 -1.6270675 2.3210900 -3.6299941 71 2 3.6532700 4.9282597 -5.4319276 72 1 0.0788934 4.0241037 -2.5011530 73 2 2.8556507 2.6168653 2.1125546 74 1 0.9738989 2.6255364 4.3412121 75 2 3.7452938 3.4521356 4.5946426 76 1 2.0805182 4.7039015 5.3280260 77 1 -1.0324174 -5.8155041 -4.3265820 78 1 0.7622442 -4.3631629 -1.3156572 79 1 0.3263684 3.9937357 1.6172321 80 1 -0.4350105 -5.7997058 4.5959134 81 2 3.9161132 -4.6052788 -3.3191717 82 2 1.9240657 5.7345079 -1.9754251 83 2 -5.9794488 -4.2369359 1.8646522 84 2 4.3339975 -4.4845227 5.3737440 85 2 2.2755456 -0.6327737 -5.7931837 86 1 1.8728190 -1.5504906 -3.4560010 87 2 3.4558100 -1.1054068 -1.8333071 88 1 4.3788172 -1.9466494 -0.3284637 89 2 2.5999235 -3.7548996 2.5740569 90 1 3.9983910 -4.4856603 1.1968663 91 2 -5.7295580 -2.1475672 -5.9963645 92 1 4.2664051 -2.6988975 -5.8005478 93 2 4.5254685 2.2906832 -3.4765798 94 1 2.3603088 1.3416442 -4.4173836 95 2 4.7767057 1.4061217 -0.7524620 96 1 1.8072666 -0.7835973 -0.4581995 97 2 4.4745018 0.3736224 2.1068274 98 1 3.6081170 -1.7315713 2.4019053 99 2 4.6281423 -0.2865409 4.4756524 100 1 1.7975239 0.2893530 4.2330830 101 2 5.8341452 4.4986472 -5.9664541 102 1 3.2401308 4.1655227 -3.5070029 103 2 4.8720339 4.8709982 -2.3364366 104 1 3.5526476 1.2262752 0.6926826 105 2 -5.8173342 4.5420479 1.5578881 106 1 3.9683224 1.5441137 3.8284375 107 2 -5.5349308 1.9067049 3.7504113 108 1 4.4728615 2.6415574 -5.5952809 109 1 1.7000950 -4.8115440 -4.1953920 110 1 1.7221527 4.1878404 -0.3712681 111 1 3.9218156 4.5935583 1.3263407 112 1 3.1310195 -5.8922481 3.6001155 113 1 4.7558719 -2.2877771 -3.4742052 114 1 -5.5050300 -2.7027381 0.8748867 115 1 5.8418594 -4.6064370 3.8714113 116 1 -4.7516868 -3.1691984 -4.4099768 117 1 3.9404971 0.7188702 -2.2898786 118 1 -5.6869740 0.2042380 -0.1916738 119 1 5.8949589 -1.2422560 3.1201292 120 1 5.9675804 -0.0712572 5.8964022 121 1 -5.6208517 3.3600036 -2.9493510 122 1 5.2065263 3.4517912 -0.3800894 123 1 -4.6994522 2.5489583 1.8297431 124 1 -4.0758407 3.0726196 5.0647973 125 1 4.1587591 -5.0896820 -1.1443498 126 1 -4.6963753 -5.7429833 1.1357818 127 1 5.5994192 4.6887008 3.5948264 128 1 5.0988369 -5.3774409 -4.9051267 [ Last edited by 冰水同緣 on 2010-6-8 at 21:29 ] |
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