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out.py
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222 lines (222 loc) · 13.8 KB
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from pymol.cgo import *
cmd.delete('all')
cmd.load('C:\iona\src\ellipsoid\out.sdf')
tmp0 = drawEllipsoid([0.85, 0.85, 1.00] , -6.323518016337214, 0.27492053492467583, -0.9393666315458665, 2.0027492184416227, 4.038705338609873, 5.409485967974538, -0.14981128493486795, -0.6932304493978338, -0.7049738455672248, 0.6638191541168627, 0.45789571452834954, -0.5913337849676321, 0.7327350882370363, -0.556563615990347, 0.39158170516766105)
cmd.load_cgo(tmp0, 'ellipsoid-cgo0')
cmd.set('cgo_transparency', 0.5, 'ellipsoid-cgo0')
obj0 = [
BEGIN, LINES,
COLOR, 0, 1.0, 0,
VERTEX, -6.323518016337214, 0.27492053492467583, -0.9393666315458665,
VERTEX, -6.623552450154256, 1.6043838270188013, 0.5281179937456107,
VERTEX, -6.323518016337214, 0.27492053492467583, -0.9393666315458665,
VERTEX, -9.123271533207166, 2.124226401716902, -3.1871630787220955,
VERTEX, -6.323518016337214, 0.27492053492467583, -0.9393666315458665,
VERTEX, -10.137064141722167, -2.9238912772470034, 1.1788891078741375,
END
]
cmd.load_cgo(obj0,'axis0')
obj0 = [
BEGIN, POINTS,
COLOR, 1.0, 1.0, 0,
VERTEX, -5.277706077764973, -1.7465290276064582, 0.7092748646502482,
VERTEX, -8.677706077764974, -1.7465290276064582, 0.7092748646502482,
VERTEX, -6.9777060777649735, -0.04652902760645827, 0.7092748646502482,
VERTEX, -6.9777060777649735, -3.4465290276064584, 0.7092748646502482,
VERTEX, -6.9777060777649735, -1.7465290276064582, 2.409274864650248,
VERTEX, -6.9777060777649735, -1.7465290276064582, -0.9907251353497517,
VERTEX, -4.6858767582199405, -0.7102153923183029, -0.17230184341621457,
VERTEX, -8.085876758219941, -0.7102153923183029, -0.17230184341621457,
VERTEX, -6.385876758219941, 0.9897846076816971, -0.17230184341621457,
VERTEX, -6.385876758219941, -2.4102153923183027, -0.17230184341621457,
VERTEX, -6.385876758219941, -0.7102153923183029, 1.5276981565837855,
VERTEX, -6.385876758219941, -0.7102153923183029, -1.8723018434162144,
VERTEX, -5.267316407442336, 0.19128061836153873, -1.0316713100459003,
VERTEX, -8.667316407442335, 0.19128061836153873, -1.0316713100459003,
VERTEX, -6.967316407442336, 1.8912806183615387, -1.0316713100459003,
VERTEX, -6.967316407442336, -1.5087193816384612, -1.0316713100459003,
VERTEX, -6.967316407442336, 0.19128061836153873, 0.6683286899540997,
VERTEX, -6.967316407442336, 0.19128061836153873, -2.7316713100459005,
VERTEX, -4.255400808177996, 0.9695194345786062, -1.621538093115462,
VERTEX, -7.655400808177997, 0.9695194345786062, -1.621538093115462,
VERTEX, -5.9554008081779966, 2.669519434578606, -1.621538093115462,
VERTEX, -5.9554008081779966, -0.7304805654213937, -1.621538093115462,
VERTEX, -5.9554008081779966, 0.9695194345786062, 0.07846190688453802,
VERTEX, -5.9554008081779966, 0.9695194345786062, -3.321538093115462,
VERTEX, -3.0390980161005094, 0.5180314733548346, -1.1316659808950318,
VERTEX, -6.43909801610051, 0.5180314733548346, -1.1316659808950318,
VERTEX, -4.73909801610051, 2.2180314733548343, -1.1316659808950318,
VERTEX, -4.73909801610051, -1.1819685266451654, -1.1316659808950318,
VERTEX, -4.73909801610051, 0.5180314733548346, 0.5683340191049682,
VERTEX, -4.73909801610051, 0.5180314733548346, -2.831665980895032,
VERTEX, -3.429812072338209, -0.487171655255283, -0.2308964826868957,
VERTEX, -6.6298120723382095, -0.487171655255283, -0.2308964826868957,
VERTEX, -5.029812072338209, 1.1128283447447171, -0.2308964826868957,
VERTEX, -5.029812072338209, -2.087171655255283, -0.2308964826868957,
VERTEX, -5.029812072338209, -0.487171655255283, 1.3691035173131043,
VERTEX, -5.029812072338209, -0.487171655255283, -1.8308964826868959,
VERTEX, -1.7186348226547354, 1.0214936895268323, -1.446209125101203,
VERTEX, -5.118634822654736, 1.0214936895268323, -1.446209125101203,
VERTEX, -3.4186348226547354, 2.7214936895268322, -1.446209125101203,
VERTEX, -3.4186348226547354, -0.6785063104731677, -1.446209125101203,
VERTEX, -3.4186348226547354, 1.0214936895268323, 0.2537908748987969,
VERTEX, -3.4186348226547354, 1.0214936895268323, -3.146209125101203,
VERTEX, -1.6732272680822817, 2.126585146344034, -1.9400435322032823,
VERTEX, -4.773227268082282, 2.126585146344034, -1.9400435322032823,
VERTEX, -3.2232272680822818, 3.676585146344034, -1.9400435322032823,
VERTEX, -3.2232272680822818, 0.5765851463440341, -1.9400435322032823,
VERTEX, -3.2232272680822818, 2.126585146344034, -0.39004353220328225,
VERTEX, -3.2232272680822818, 2.126585146344034, -3.4900435322032823,
VERTEX, -6.893224592083527, 0.4117388291317288, -1.393499565786246,
VERTEX, -10.693224592083528, 0.4117388291317288, -1.393499565786246,
VERTEX, -8.793224592083527, 2.3117388291317287, -1.393499565786246,
VERTEX, -8.793224592083527, -1.4882611708682711, -1.393499565786246,
VERTEX, -8.793224592083527, 0.4117388291317288, 0.506500434213754,
VERTEX, -8.793224592083527, 0.4117388291317288, -3.293499565786246,
END
]
cmd.load_cgo(obj0,'points0'),
tmp1 = drawEllipsoid([0.85, 0.85, 1.00] , -0.4040205064331351, 0.4792017945774149, -0.5172452678163157, 2.327431410444372, 3.369348227375684, 3.716255045017401, 0.21101168075658616, 0.04645702080812293, -0.976378930437314, 0.6312631773610765, -0.7691167286237113, 0.09983115074543752, -0.7463115110275854, -0.6374176048469277, -0.19161922017096183)
cmd.load_cgo(tmp1, 'ellipsoid-cgo1')
cmd.set('cgo_transparency', 0.5, 'ellipsoid-cgo1')
obj1 = [
BEGIN, LINES,
COLOR, 0, 1.0, 0,
VERTEX, -0.4040205064331351, 0.4792017945774149, -0.5172452678163157,
VERTEX, 0.0870947073304042, 1.9484235418245013, -2.2542341205581202,
VERTEX, -0.4040205064331351, 0.4792017945774149, -0.5172452678163157,
VERTEX, -0.24749062572413058, -2.1122202916558717, -2.6649271448053655,
VERTEX, -0.4040205064331351, 0.4792017945774149, -0.5172452678163157,
VERTEX, -4.032493632519499, 0.8501998121850398, -1.2293511614989534,
END
]
cmd.load_cgo(obj1,'axis1')
obj1 = [
BEGIN, POINTS,
COLOR, 1.0, 1.0, 0,
VERTEX, -0.7895426477120235, 0.14016719460010094, -1.1693049557012123,
VERTEX, -3.9895426477120237, 0.14016719460010094, -1.1693049557012123,
VERTEX, -2.3895426477120236, 1.740167194600101, -1.1693049557012123,
VERTEX, -2.3895426477120236, -1.4598328053998992, -1.1693049557012123,
VERTEX, -2.3895426477120236, 0.14016719460010094, 0.4306950442987878,
VERTEX, -2.3895426477120236, 0.14016719460010094, -2.7693049557012124,
VERTEX, 0.6957104643294609, 0.45596598497208773, -1.5260841857633196,
VERTEX, -2.704289535670539, 0.45596598497208773, -1.5260841857633196,
VERTEX, -1.004289535670539, 2.1559659849720876, -1.5260841857633196,
VERTEX, -1.004289535670539, -1.2440340150279123, -1.5260841857633196,
VERTEX, -1.004289535670539, 0.45596598497208773, 0.17391581423668034,
VERTEX, -1.004289535670539, 0.45596598497208773, -3.2260841857633196,
VERTEX, 1.2887894187816646, 1.5522967002078505, -0.6268888285616071,
VERTEX, -2.111210581218335, 1.5522967002078505, -0.6268888285616071,
VERTEX, -0.41121058121833526, 3.25229670020785, -0.6268888285616071,
VERTEX, -0.41121058121833526, -0.14770329979214947, -0.6268888285616071,
VERTEX, -0.41121058121833526, 1.5522967002078505, 1.0731111714383927,
VERTEX, -0.41121058121833526, 1.5522967002078505, -2.326888828561607,
VERTEX, 1.998379002178139, 0.9814770048094341, 0.5977892788991735,
VERTEX, -1.401620997821861, 0.9814770048094341, 0.5977892788991735,
VERTEX, 0.2983790021781389, 2.681477004809434, 0.5977892788991735,
VERTEX, 0.2983790021781389, -0.7185229951905658, 0.5977892788991735,
VERTEX, 0.2983790021781389, 0.9814770048094341, 2.2977892788991734,
VERTEX, 0.2983790021781389, 0.9814770048094341, -1.1022107211008265,
VERTEX, 2.92633283558417, 0.004868095375701496, 0.21914813555844173,
VERTEX, -0.2736671644158304, 0.004868095375701496, 0.21914813555844173,
VERTEX, 1.3263328355841697, 1.6048680953757015, 0.21914813555844173,
VERTEX, 1.3263328355841697, -1.5951319046242987, 0.21914813555844173,
VERTEX, 1.3263328355841697, 0.004868095375701496, 1.8191481355584418,
VERTEX, 1.3263328355841697, 0.004868095375701496, -1.3808518644415584,
VERTEX, 2.9948662011212708, -0.5237834552188209, -1.1457851853094003,
VERTEX, -0.40513379887872913, -0.5237834552188209, -1.1457851853094003,
VERTEX, 1.2948662011212708, 1.176216544781179, -1.1457851853094003,
VERTEX, 1.2948662011212708, -2.223783455218821, -1.1457851853094003,
VERTEX, 1.2948662011212708, -0.5237834552188209, 0.5542148146905996,
VERTEX, 1.2948662011212708, -0.5237834552188209, -2.8457851853094,
VERTEX, 1.548186511910055, -0.8205131242022525, -1.5228825772297954,
VERTEX, -1.8518134880899448, -0.8205131242022525, -1.5228825772297954,
VERTEX, -0.1518134880899448, 0.8794868757977474, -1.5228825772297954,
VERTEX, -0.1518134880899448, -2.5205131242022523, -1.5228825772297954,
VERTEX, -0.1518134880899448, -0.8205131242022525, 0.1771174227702046,
VERTEX, -0.1518134880899448, -0.8205131242022525, -3.2228825772297953,
END
]
cmd.load_cgo(obj1,'points1'),
tmp2 = drawEllipsoid([0.85, 0.85, 1.00] , 5.059829933423012, 0.18371893289301555, 1.1959525299997944, 2.056975434112337, 3.3051162433448233, 4.348279040168049, -0.004060097620064967, 0.23777891413824964, -0.9713108171942445, -0.9382972505483552, 0.3349847868472135, 0.08592707486190553, 0.345805993615947, 0.9117271415133811, 0.22174723043845673)
cmd.load_cgo(tmp2, 'ellipsoid-cgo2')
cmd.set('cgo_transparency', 0.5, 'ellipsoid-cgo2')
obj2 = [
BEGIN, LINES,
COLOR, 0, 1.0, 0,
VERTEX, 5.059829933423012, 0.18371893289301555, 1.1959525299997944,
VERTEX, 5.051478412358441, -1.7463354613800999, 1.9072669638366049,
VERTEX, 5.059829933423012, 0.18371893289301555, 1.1959525299997944,
VERTEX, 5.845716884866235, 1.290882593175145, 4.209316714914015,
VERTEX, 5.059829933423012, 0.18371893289301555, 1.1959525299997944,
VERTEX, 0.8362994655287812, 0.5573538314979894, 2.16017136433065,
END
]
cmd.load_cgo(obj2,'axis2')
obj2 = [
BEGIN, POINTS,
COLOR, 1.0, 1.0, 0,
VERTEX, 4.298889020480567, 0.13560518142139244, 0.7796667376296385,
VERTEX, 0.8988890204805677, 0.13560518142139244, 0.7796667376296385,
VERTEX, 2.5988890204805677, 1.8356051814213923, 0.7796667376296385,
VERTEX, 2.5988890204805677, -1.5643948185786076, 0.7796667376296385,
VERTEX, 2.5988890204805677, 0.13560518142139244, 2.479666737629638,
VERTEX, 2.5988890204805677, 0.13560518142139244, -0.9203332623703615,
VERTEX, 4.45531119684837, 0.450743222617815, 2.128054692806234,
VERTEX, 1.05531119684837, 0.450743222617815, 2.128054692806234,
VERTEX, 2.75531119684837, 2.150743222617815, 2.128054692806234,
VERTEX, 2.75531119684837, -1.249256777382185, 2.128054692806234,
VERTEX, 2.75531119684837, 0.450743222617815, 3.8280546928062336,
VERTEX, 2.75531119684837, 0.450743222617815, 0.42805469280623387,
VERTEX, 5.7313475640134355, 0.5614919780549987, 2.675377146706028,
VERTEX, 2.331347564013435, 0.5614919780549987, 2.675377146706028,
VERTEX, 4.031347564013435, 2.2614919780549987, 2.675377146706028,
VERTEX, 4.031347564013435, -1.1385080219450012, 2.675377146706028,
VERTEX, 4.031347564013435, 0.5614919780549987, 4.375377146706028,
VERTEX, 4.031347564013435, 0.5614919780549987, 0.9753771467060279,
VERTEX, 6.847083721845624, 0.3449803298375696, 1.8673751529803675,
VERTEX, 3.4470837218456234, 0.3449803298375696, 1.8673751529803675,
VERTEX, 5.147083721845624, 2.0449803298375695, 1.8673751529803675,
VERTEX, 5.147083721845624, -1.3550196701624304, 1.8673751529803675,
VERTEX, 5.147083721845624, 0.3449803298375696, 3.5673751529803672,
VERTEX, 5.147083721845624, 0.3449803298375696, 0.16737515298036754,
VERTEX, 8.158686155500913, 0.4450433986058644, 2.3657011006891198,
VERTEX, 4.758686155500913, 0.4450433986058644, 2.3657011006891198,
VERTEX, 6.458686155500913, 2.145043398605864, 2.3657011006891198,
VERTEX, 6.458686155500913, -1.2549566013941356, 2.3657011006891198,
VERTEX, 6.458686155500913, 0.4450433986058644, 4.06570110068912,
VERTEX, 6.458686155500913, 0.4450433986058644, 0.6657011006891198,
VERTEX, 9.247460508152464, 0.21654537296926382, 1.527304936414337,
VERTEX, 5.847460508152464, 0.21654537296926382, 1.527304936414337,
VERTEX, 7.547460508152464, 1.9165453729692639, 1.527304936414337,
VERTEX, 7.547460508152464, -1.483454627030736, 1.527304936414337,
VERTEX, 7.547460508152464, 0.21654537296926382, 3.227304936414337,
VERTEX, 7.547460508152464, 0.21654537296926382, -0.172695063585663,
VERTEX, 9.029082097741911, -0.11228545636335982, 0.19442840222851188,
VERTEX, 5.629082097741911, -0.11228545636335982, 0.19442840222851188,
VERTEX, 7.329082097741911, 1.5877145436366402, 0.19442840222851188,
VERTEX, 7.329082097741911, -1.8122854563633597, 0.19442840222851188,
VERTEX, 7.329082097741911, -0.11228545636335982, 1.8944284022285118,
VERTEX, 7.329082097741911, -0.11228545636335982, -1.505571597771488,
VERTEX, 7.721944401928416, -0.21056168991709617, -0.29302859260931746,
VERTEX, 4.321944401928415, -0.21056168991709617, -0.29302859260931746,
VERTEX, 6.021944401928415, 1.4894383100829038, -0.29302859260931746,
VERTEX, 6.021944401928415, -1.910561689917096, -0.29302859260931746,
VERTEX, 6.021944401928415, -0.21056168991709617, 1.4069714073906825,
VERTEX, 6.021944401928415, -0.21056168991709617, -1.9930285926093174,
VERTEX, 6.618324829400958, 0.013010074063912622, 0.5200988899935958,
VERTEX, 3.2183248294009577, 0.013010074063912622, 0.5200988899935958,
VERTEX, 4.918324829400958, 1.7130100740639125, 0.5200988899935958,
VERTEX, 4.918324829400958, -1.6869899259360874, 0.5200988899935958,
VERTEX, 4.918324829400958, 0.013010074063912622, 2.220098889993596,
VERTEX, 4.918324829400958, 0.013010074063912622, -1.179901110006404,
VERTEX, 5.280947765194666, -0.09375968559908537, 0.001793187124735593,
VERTEX, 2.0809477651946664, -0.09375968559908537, 0.001793187124735593,
VERTEX, 3.6809477651946665, 1.5062403144009147, 0.001793187124735593,
VERTEX, 3.6809477651946665, -1.6937596855990855, 0.001793187124735593,
VERTEX, 3.6809477651946665, -0.09375968559908537, 1.6017931871247357,
VERTEX, 3.6809477651946665, -0.09375968559908537, -1.5982068128752644,
END
]
cmd.load_cgo(obj2,'points2'),