Implemented pyGromosPP programs¶
Ran_Box¶
The program ran_box can generate liquid conformations from a single molecule topology and coordinate file. In the following notebook we show an example for the ussage of this program.
[1]:
import os
from pygromos.gromos.pyGromosPP.ran_box import ran_box
from pygromos.files.coord.cnf import Cnf
[2]:
# define the paths to the single molecule topology and the single molecule conformation file
root_dir = os.path.abspath("../example_files/tool_examples")
in_cnf_path = root_dir +"/ran_box.cnf"
in_top_path = root_dir +"/ran_box.top"
[3]:
#define some properties for the new liquid conformation
nmols=150 #42 #The number of molecules in the liquid box
dens=1000 #The density of the liquid
[4]:
#execute ran_box
out_cnf = ran_box(in_top_path= in_top_path,
in_cnf_path= in_cnf_path,
out_cnf_path= root_dir+"/out_ran_"+str(nmols)+"mol.cnf",
nmolecule = nmols,
dens = dens)
[5]:
#write the conformation to a pdb file
cnfF = Cnf(out_cnf)
cnfF.write_pdb(out_cnf.replace(".cnf", ".pdb"))
[5]:
'/home/mlehner/PyGromosTools/docs/sphinx_project/Examples/example_files/tool_examples/out_ran_150mol.pdb'
[6]:
# printing the new liquid conformation. The pdb can visualized with software packages like pymol.
cnfF
[6]:
TITLE
150 * SOLV
>>> Generated with PyGromosTools (riniker group) <<<
END
POSITION
#
1 SOLV OW 1 1.395520511 1.157910587 0.695118041
1 SOLV HW1 2 1.418572790 1.211843941 0.614113964
1 SOLV HW2 3 1.449507059 1.189974905 0.772958606
2 SOLV OW 4 0.677951849 0.434436885 0.989581449
2 SOLV HW1 5 0.628974370 0.407842609 0.906540340
2 SOLV HW2 6 0.766167519 0.474527839 0.964832055
3 SOLV OW 7 0.699441399 0.511768588 1.135053735
3 SOLV HW1 8 0.724574727 0.420706948 1.167886161
3 SOLV HW2 9 0.605928462 0.532828782 1.163577768
4 SOLV OW 10 0.890776211 0.984111800 0.265131866
4 SOLV HW1 11 0.971762892 1.016448298 0.216168786
4 SOLV HW2 12 0.886497121 0.884316619 0.260188915
5 SOLV OW 13 1.218289497 0.194504004 1.449651525
5 SOLV HW1 14 1.276337238 0.212743289 1.370281109
5 SOLV HW2 15 1.132349514 0.244795821 1.440330908
6 SOLV OW 16 0.722646378 1.231964969 0.900825816
6 SOLV HW1 17 0.685804437 1.228984678 0.993754089
6 SOLV HW2 18 0.795491790 1.164055706 0.891677074
7 SOLV OW 19 0.229033303 1.389069407 0.218083439
7 SOLV HW1 20 0.272696471 1.441233515 0.144773765
7 SOLV HW2 21 0.296815455 1.329980024 0.261853821
8 SOLV OW 22 0.487118322 0.983335545 0.672336910
8 SOLV HW1 23 0.538313813 1.032817025 0.742568524
8 SOLV HW2 24 0.437930713 0.907120860 0.714452492
9 SOLV OW 25 1.405732875 0.902254509 1.002603589
9 SOLV HW1 26 1.501985782 0.928097933 1.010932448
9 SOLV HW2 27 1.379171720 0.903339160 0.906192230
10 SOLV OW 28 0.464570718 1.431966470 0.762582544
10 SOLV HW1 29 0.432622805 1.511056962 0.710372394
10 SOLV HW2 30 0.513516307 1.369462962 0.701759337
11 SOLV OW 31 1.417575719 0.743652025 0.439380988
11 SOLV HW1 32 1.331110087 0.702303657 0.467944631
11 SOLV HW2 33 1.481974755 0.742406894 0.515886121
12 SOLV OW 34 1.193797953 0.892597015 0.947962812
12 SOLV HW1 35 1.161137843 0.960269869 0.881966018
12 SOLV HW2 36 1.169694994 0.921957015 1.040476915
13 SOLV OW 37 0.927517453 0.200570322 0.447891810
13 SOLV HW1 38 0.917676346 0.283759711 0.502522872
13 SOLV HW2 39 1.019247823 0.197458375 0.408171834
14 SOLV OW 40 0.750206617 1.159234396 1.235655040
14 SOLV HW1 41 0.686433739 1.106886883 1.179133958
14 SOLV HW2 42 0.751185345 1.254506742 1.205256952
15 SOLV OW 43 0.491641293 0.459049639 0.953713948
15 SOLV HW1 44 0.479593531 0.373530922 1.004144842
15 SOLV HW2 45 0.404236244 0.507398754 0.948759946
16 SOLV OW 46 1.384694744 0.228260875 0.708630920
16 SOLV HW1 47 1.375614190 0.289088805 0.629767867
16 SOLV HW2 48 1.448582256 0.154525546 0.686646638
17 SOLV OW 49 0.222760318 0.269601160 0.258602114
17 SOLV HW1 50 0.255683632 0.177747310 0.280529276
17 SOLV HW2 51 0.150125155 0.263490741 0.190128634
18 SOLV OW 52 0.680276616 0.487276736 0.710288122
18 SOLV HW1 53 0.697507439 0.416882272 0.641370833
18 SOLV HW2 54 0.686907358 0.446890298 0.801539371
19 SOLV OW 55 0.463957696 1.227588240 0.910400122
19 SOLV HW1 56 0.547562829 1.183948985 0.943681826
19 SOLV HW2 57 0.387197510 1.201548792 0.968980345
20 SOLV OW 58 1.192331134 0.518464265 0.233909942
20 SOLV HW1 59 1.236269842 0.475414484 0.155055766
20 SOLV HW2 60 1.101535198 0.478720395 0.247264500
21 SOLV OW 61 0.458825289 1.413512551 1.391838234
21 SOLV HW1 62 0.555329166 1.387364897 1.394113459
21 SOLV HW2 63 0.450299529 1.511178769 1.411597859
22 SOLV OW 64 1.464795499 1.435082410 0.938924223
22 SOLV HW1 65 1.375734059 1.392983749 0.956176394
22 SOLV HW2 66 1.492297186 1.488737038 1.018715573
23 SOLV OW 67 1.421300575 1.387181232 1.417648409
23 SOLV HW1 68 1.409802510 1.472317325 1.366447677
23 SOLV HW2 69 1.483580370 1.402597416 1.494364703
24 SOLV OW 70 0.203763676 1.399338658 0.714707692
24 SOLV HW1 71 0.299792564 1.414258200 0.738324098
24 SOLV HW2 72 0.152151859 1.483572289 0.730287721
25 SOLV OW 73 0.471344363 1.403883103 0.954047751
25 SOLV HW1 74 0.465920792 1.439289255 1.047422609
25 SOLV HW2 75 0.468206633 1.480044796 0.889306940
26 SOLV OW 76 1.435582342 1.414885458 0.431203596
26 SOLV HW1 77 1.380891068 1.339041209 0.395729816
26 SOLV HW2 78 1.401416081 1.441252380 0.521421519
27 SOLV OW 79 1.183067513 0.743802513 1.434814996
27 SOLV HW1 80 1.220226540 0.660961661 1.392880823
27 SOLV HW2 81 1.091768260 0.761649306 1.398103147
28 SOLV OW 82 0.283887720 0.221169759 0.490902823
28 SOLV HW1 83 0.230276295 0.284760922 0.435370367
28 SOLV HW2 84 0.222571463 0.155677810 0.535094935
29 SOLV OW 85 0.286888071 0.952963782 0.262665858
29 SOLV HW1 86 0.200201954 0.904832974 0.249596154
29 SOLV HW2 87 0.293317603 1.028359269 0.197274703
30 SOLV OW 88 0.962732707 0.293892504 1.214743659
30 SOLV HW1 89 0.887775374 0.231188089 1.235990526
30 SOLV HW2 90 0.993050206 0.278891718 1.120628584
31 SOLV OW 91 1.155416681 0.947906375 0.746793447
31 SOLV HW1 92 1.086773076 0.884532438 0.711104872
31 SOLV HW2 93 1.202011644 0.992913288 0.670602183
32 SOLV OW 94 1.367678035 0.456089632 0.501939496
32 SOLV HW1 95 1.410484819 0.456907610 0.411558165
32 SOLV HW2 96 1.403816667 0.531640928 0.556600473
33 SOLV OW 97 0.676386870 0.956310793 0.890941705
33 SOLV HW1 98 0.638464778 0.949374096 0.983222103
33 SOLV HW2 99 0.714281452 0.867840148 0.863761435
34 SOLV OW 100 0.922780825 0.681924896 1.355831073
34 SOLV HW1 101 0.885712566 0.607376177 1.411241429
34 SOLV HW2 102 0.917829581 0.767441491 1.407447143
35 SOLV OW 103 0.710728576 0.692423261 0.512897517
35 SOLV HW1 104 0.742349759 0.715464396 0.420859038
35 SOLV HW2 105 0.766782985 0.618270019 0.549789541
36 SOLV OW 106 0.928006139 0.935710797 1.378494166
36 SOLV HW1 107 0.979141484 0.869899744 1.433774873
36 SOLV HW2 108 0.950161868 1.028573218 1.408285372
37 SOLV OW 109 0.933678087 1.165117408 1.419728560
37 SOLV HW1 110 0.906222191 1.103189172 1.346155860
37 SOLV HW2 111 1.011560800 1.220157760 1.389617695
38 SOLV OW 112 0.504325303 0.963826071 0.482777923
38 SOLV HW1 113 0.478538015 0.914419725 0.399736347
38 SOLV HW2 114 0.463185933 0.919165295 0.562243569
39 SOLV OW 115 1.128313613 0.707123654 0.971749771
39 SOLV HW1 116 1.079235903 0.642695332 0.913079126
39 SOLV HW2 117 1.225625063 0.705675419 0.948723573
40 SOLV OW 118 0.439797331 0.282799466 0.486983821
40 SOLV HW1 119 0.515616348 0.231811089 0.446320116
40 SOLV HW2 120 0.368147057 0.296202972 0.418511887
41 SOLV OW 121 0.960329234 1.178205693 0.925271396
41 SOLV HW1 122 0.967260424 1.216696950 1.017316257
41 SOLV HW2 123 0.981295011 1.080467989 0.928369618
42 SOLV OW 124 0.486180406 1.465723170 1.182271549
42 SOLV HW1 125 0.468079216 1.379851666 1.134310040
42 SOLV HW2 126 0.497304715 1.447595272 1.279992839
43 SOLV OW 127 0.995409379 0.483073066 0.959605804
43 SOLV HW1 128 0.918758368 0.456988209 0.900902504
43 SOLV HW2 129 0.964038871 0.489804874 1.054328533
44 SOLV OW 130 0.451236301 1.374248535 0.225320517
44 SOLV HW1 131 0.457525367 1.332406779 0.315938340
44 SOLV HW2 132 0.436923816 1.472750701 0.235031210
45 SOLV OW 133 0.420170079 0.248077804 1.155128779
45 SOLV HW1 134 0.396625934 0.163822256 1.203590625
45 SOLV HW2 135 0.519535885 0.259372085 1.154293791
46 SOLV OW 136 1.221001043 1.386785530 1.456166670
46 SOLV HW1 137 1.124877239 1.408486417 1.473230095
46 SOLV HW2 138 1.243366295 1.407265456 1.360866147
47 SOLV OW 139 1.121272218 0.478679329 0.483673752
47 SOLV HW1 140 1.178598779 0.415825152 0.536255998
47 SOLV HW2 141 1.178872537 0.533411167 0.422941135
48 SOLV OW 142 0.743473378 0.179471223 1.417219000
48 SOLV HW1 143 0.672783200 0.185463933 1.346728853
48 SOLV HW2 144 0.740445174 0.261406262 1.474484181
49 SOLV OW 145 1.451678824 0.735115489 0.281113707
49 SOLV HW1 146 1.446596442 0.801747268 0.206707724
49 SOLV HW2 147 1.373154680 0.673394871 0.275980907
50 SOLV OW 148 0.659715018 1.408747196 0.276052426
50 SOLV HW1 149 0.741457538 1.466364659 0.275539540
50 SOLV HW2 150 0.660893203 1.348542961 0.196203296
51 SOLV OW 151 0.729203395 0.949165479 0.186199991
51 SOLV HW1 152 0.792305626 1.014571780 0.227937252
51 SOLV HW2 153 0.646743622 0.941967352 0.242328364
52 SOLV OW 154 0.937337574 1.175192446 0.248938788
52 SOLV HW1 155 1.015703981 1.212775910 0.199460871
52 SOLV HW2 156 0.961040449 1.085137486 0.285409315
53 SOLV OW 157 1.165533197 1.424824957 0.924977121
53 SOLV HW1 158 1.225562650 1.433013383 1.004546519
53 SOLV HW2 159 1.088117581 1.365689822 0.947597462
54 SOLV OW 160 0.302525238 1.151484600 0.943299623
54 SOLV HW1 161 0.280550396 1.240177432 0.983951348
54 SOLV HW2 162 0.223185166 1.091014027 0.950390760
55 SOLV OW 163 0.243228134 0.665705922 0.930207209
55 SOLV HW1 164 0.273412242 0.755479144 0.962325163
55 SOLV HW2 165 0.287934346 0.644672618 0.843254485
56 SOLV OW 166 0.704848278 0.245577157 0.256685691
56 SOLV HW1 167 0.719798396 0.160704893 0.205940569
56 SOLV HW2 168 0.611596239 0.246811016 0.292801566
57 SOLV OW 169 0.468255077 0.713389068 0.477488234
57 SOLV HW1 170 0.537675211 0.641486285 0.473923191
57 SOLV HW2 171 0.420770700 0.718235773 0.389604419
58 SOLV OW 172 0.962300846 1.149148457 0.494457860
58 SOLV HW1 173 0.959060093 1.231524399 0.437840049
58 SOLV HW2 174 0.870573067 1.128534831 0.528559393
59 SOLV OW 175 1.172856348 1.439243426 1.136043476
59 SOLV HW1 176 1.144602609 1.428951772 1.231425250
59 SOLV HW2 177 1.272433461 1.432313150 1.129863553
60 SOLV OW 178 0.277163073 0.254176302 1.233175962
60 SOLV HW1 179 0.178231808 0.243849601 1.243560513
60 SOLV HW2 180 0.298646350 0.275019895 1.137751463
61 SOLV OW 181 1.175915129 0.933643348 0.271924565
61 SOLV HW1 182 1.103925249 0.968424002 0.211844302
61 SOLV HW2 183 1.188836076 0.835876400 0.255296443
62 SOLV OW 184 0.194320759 1.199746122 0.726603774
62 SOLV HW1 185 0.264828342 1.132460573 0.704171423
62 SOLV HW2 186 0.227744492 1.291491801 0.704984203
63 SOLV OW 187 0.906310696 0.699772767 0.248756840
63 SOLV HW1 188 0.966440936 0.740114655 0.179773067
63 SOLV HW2 189 0.906421194 0.600246248 0.238944540
64 SOLV OW 190 1.397383055 0.460464487 0.241306860
64 SOLV HW1 191 1.470216615 0.527406469 0.256001021
64 SOLV HW2 192 1.428421020 0.391228416 0.176154479
65 SOLV OW 193 0.225053166 0.451608409 1.401370725
65 SOLV HW1 194 0.243055013 0.501676105 1.486052684
65 SOLV HW2 195 0.311756062 0.423414630 1.360266710
66 SOLV OW 196 0.895952387 1.428180234 1.188940661
66 SOLV HW1 197 0.956165647 1.402629025 1.264593643
66 SOLV HW2 198 0.951024561 1.448955198 1.108087225
67 SOLV OW 199 0.717162688 0.248692640 0.723439085
67 SOLV HW1 200 0.798739082 0.209283178 0.681082729
67 SOLV HW2 201 0.637524185 0.230330180 0.665799251
68 SOLV OW 202 0.231191193 0.734467104 1.154874581
68 SOLV HW1 203 0.248252287 0.782855166 1.240719728
68 SOLV HW2 204 0.308738963 0.674757239 1.134310122
69 SOLV OW 205 0.881304939 0.973685992 0.908537285
69 SOLV HW1 206 0.966546456 0.936446773 0.871808562
69 SOLV HW2 207 0.882880558 0.968274825 1.008387464
70 SOLV OW 208 1.411304700 0.891889580 0.284111081
70 SOLV HW1 209 1.324098983 0.935791676 0.262439818
70 SOLV HW2 210 1.486514698 0.950702767 0.254340515
71 SOLV OW 211 0.757539849 0.699509706 1.414791887
71 SOLV HW1 212 0.746861206 0.618241397 1.357491770
71 SOLV HW2 213 0.668264792 0.727105827 1.450432308
72 SOLV OW 214 0.645563264 0.920819871 1.456986218
72 SOLV HW1 215 0.664991417 1.015446531 1.431097671
72 SOLV HW2 216 0.714108124 0.860411774 1.416313309
73 SOLV OW 217 1.412320669 1.151356763 0.955578533
73 SOLV HW1 218 1.394359349 1.130286133 0.859478095
73 SOLV HW2 219 1.370500633 1.239182735 0.978805777
74 SOLV OW 220 0.922103868 0.279661108 1.435785472
74 SOLV HW1 221 0.872758998 0.294176733 1.350016857
74 SOLV HW2 222 0.996941469 0.215071462 1.420641741
75 SOLV OW 223 1.187775463 0.932317814 0.441580588
75 SOLV HW1 224 1.145172404 1.012029078 0.398767405
75 SOLV HW2 225 1.214756049 0.955186728 0.535126739
76 SOLV OW 226 0.439393506 0.233949077 0.905089415
76 SOLV HW1 227 0.510448874 0.168543305 0.931071995
76 SOLV HW2 228 0.462609061 0.324363754 0.940978770
77 SOLV OW 229 0.487112366 0.679148641 0.186949303
77 SOLV HW1 230 0.465699758 0.645488314 0.278657304
77 SOLV HW2 231 0.504519028 0.777555777 0.190804851
78 SOLV OW 232 0.670698199 0.683886546 0.708475772
78 SOLV HW1 233 0.734030121 0.697203051 0.632228720
78 SOLV HW2 234 0.699468068 0.740258162 0.785911920
79 SOLV OW 235 0.210413887 0.707438642 0.732580099
79 SOLV HW1 236 0.294554756 0.694761653 0.680030287
79 SOLV HW2 237 0.211334769 0.797677567 0.775683580
80 SOLV OW 238 0.954255507 1.153573003 1.191965739
80 SOLV HW1 239 0.908091091 1.215426978 1.128366941
80 SOLV HW2 240 0.909731483 1.158423372 1.281385574
81 SOLV OW 241 0.216291654 0.472537213 1.186029548
81 SOLV HW1 242 0.152285063 0.398735805 1.207439429
81 SOLV HW2 243 0.263334376 0.451981567 1.100202575
82 SOLV OW 244 1.421745499 0.237385259 0.511073080
82 SOLV HW1 245 1.354685398 0.179631999 0.557649668
82 SOLV HW2 246 1.376427707 0.289159860 0.438495466
83 SOLV OW 247 1.375178788 0.257882701 0.986519284
83 SOLV HW1 248 1.375757122 0.184563970 0.918505286
83 SOLV HW2 249 1.394313436 0.345155945 0.941585248
84 SOLV OW 250 1.398411353 0.461641127 1.183158481
84 SOLV HW1 251 1.397089549 0.365953464 1.154106824
84 SOLV HW2 252 1.493079750 0.493312351 1.189212367
85 SOLV OW 253 0.933395942 0.726293138 0.650960029
85 SOLV HW1 254 0.998783359 0.794279289 0.684190192
85 SOLV HW2 255 0.928870083 0.650072703 0.715549373
86 SOLV OW 256 0.777301878 0.242272354 0.456251005
86 SOLV HW1 257 0.718448446 0.161998308 0.465958011
86 SOLV HW2 258 0.725005440 0.317200069 0.415597080
87 SOLV OW 259 0.233331876 0.950378478 0.494070073
87 SOLV HW1 260 0.188581052 0.940058828 0.405228960
87 SOLV HW2 261 0.328321009 0.919839258 0.487269910
88 SOLV OW 262 0.955985680 1.399577028 0.918868438
88 SOLV HW1 263 0.881840523 1.352885239 0.967078887
88 SOLV HW2 264 0.917807591 1.471119405 0.860336880
89 SOLV OW 265 0.900308836 0.481245540 0.692333561
89 SOLV HW1 266 0.872335876 0.575259646 0.711846020
89 SOLV HW2 267 0.968624356 0.452224140 0.759360195
90 SOLV OW 268 1.132974225 1.409323323 0.268807188
90 SOLV HW1 269 1.216009438 1.422951335 0.322856290
90 SOLV HW2 270 1.153842980 1.351994997 0.189562128
91 SOLV OW 271 1.156127141 1.431920630 0.425923557
91 SOLV HW1 272 1.130814814 1.402127099 0.517975207
91 SOLV HW2 273 1.245627573 1.394170528 0.402123891
92 SOLV OW 274 0.720523479 0.423751624 0.510699669
92 SOLV HW1 275 0.686480643 0.516025921 0.528821872
92 SOLV HW2 276 0.678663719 0.388655913 0.426926922
93 SOLV OW 277 0.414526233 0.491315393 0.237994768
93 SOLV HW1 278 0.432777225 0.579569156 0.281354304
93 SOLV HW2 279 0.495453102 0.433059364 0.245669301
94 SOLV OW 280 0.903584520 1.402819742 0.238930721
94 SOLV HW1 281 0.980922876 1.339885148 0.246669607
94 SOLV HW2 282 0.910524945 1.473004558 0.309837304
95 SOLV OW 283 1.126769895 0.191657296 0.203246342
95 SOLV HW1 284 1.145868536 0.177387762 0.300372534
95 SOLV HW2 285 1.180517698 0.269057790 0.169747706
96 SOLV OW 286 0.277899774 0.670103019 1.446881989
96 SOLV HW1 287 0.272208635 0.757083152 1.397851977
96 SOLV HW2 288 0.233213701 0.598577901 1.393131324
97 SOLV OW 289 0.702743017 1.428252163 1.171258104
97 SOLV HW1 290 0.603920513 1.424844269 1.156278994
97 SOLV HW2 291 0.722192028 1.482445691 1.253029854
98 SOLV OW 292 0.684948694 0.489381771 0.212335699
98 SOLV HW1 293 0.711407365 0.405514933 0.259960974
98 SOLV HW2 294 0.649191247 0.555363235 0.278439201
99 SOLV OW 295 1.138798254 0.773523369 0.692975184
99 SOLV HW1 296 1.072153020 0.712129940 0.650653389
99 SOLV HW2 297 1.221333657 0.722097903 0.716323636
100 SOLV OW 298 0.974729680 0.231987336 0.875264061
100 SOLV HW1 299 0.876376611 0.242351546 0.890134555
100 SOLV HW2 300 1.022063684 0.233336082 0.963352053
101 SOLV OW 301 0.972414876 0.212620124 0.258284428
101 SOLV HW1 302 0.915358941 0.171560128 0.187146732
101 SOLV HW2 303 0.918079680 0.278004135 0.310957374
102 SOLV OW 304 1.422618003 0.931359860 1.220830503
102 SOLV HW1 305 1.460177753 0.996215396 1.154611931
102 SOLV HW2 306 1.359502432 0.869179780 1.174442102
103 SOLV OW 307 1.179944774 0.458736074 1.167869151
103 SOLV HW1 308 1.176797993 0.530234911 1.098012950
103 SOLV HW2 309 1.097489993 0.463601555 1.224254945
104 SOLV OW 310 0.461865768 0.745970080 1.384334269
104 SOLV HW1 311 0.453624338 0.654169576 1.345519051
104 SOLV HW2 312 0.431525653 0.744695592 1.479621596
105 SOLV OW 313 0.954211564 0.912716482 0.435502997
105 SOLV HW1 314 0.892197046 0.991061401 0.439763037
105 SOLV HW2 315 0.968654620 0.876614625 0.527643518
106 SOLV OW 316 0.273669047 1.172832697 1.160941553
106 SOLV HW1 317 0.209456326 1.193364748 1.234813308
106 SOLV HW2 318 0.321842829 1.256388732 1.134493542
107 SOLV OW 319 0.274754426 0.922831823 0.947536488
107 SOLV HW1 320 0.228159602 0.983665200 1.011802322
107 SOLV HW2 321 0.207094355 0.867082092 0.899412650
108 SOLV OW 322 0.230700429 0.208762367 1.381085490
108 SOLV HW1 323 0.287600682 0.275843070 1.428671363
108 SOLV HW2 324 0.184676466 0.150566484 1.448144087
109 SOLV OW 325 0.700313054 1.202117391 1.453603781
109 SOLV HW1 326 0.711995443 1.202276580 1.354279206
109 SOLV HW2 327 0.761762868 1.134497888 1.494265121
110 SOLV OW 328 1.160080284 1.172325015 0.212477273
110 SOLV HW1 329 1.215090788 1.253471445 0.232250389
110 SOLV HW2 330 1.214226370 1.090183967 0.230445883
111 SOLV OW 331 0.681881758 0.423030151 1.368478257
111 SOLV HW1 332 0.647499604 0.516263291 1.379762044
111 SOLV HW2 333 0.763126480 0.410367837 1.425406128
112 SOLV OW 334 0.699239909 0.698890166 0.983606221
112 SOLV HW1 335 0.773950036 0.763895032 0.969654914
112 SOLV HW2 336 0.713878568 0.618453548 0.926008636
113 SOLV OW 337 0.997162339 0.467734114 0.255048873
113 SOLV HW1 338 1.026373345 0.515224272 0.172023114
113 SOLV HW2 339 0.899181109 0.482160718 0.268954741
114 SOLV OW 340 1.208944528 1.410872091 0.739547735
114 SOLV HW1 341 1.118507532 1.453473134 0.742407052
114 SOLV HW2 342 1.210453679 1.340650656 0.668354378
115 SOLV OW 343 1.181680628 0.931431622 1.403032401
115 SOLV HW1 344 1.176511687 0.956975960 1.499586239
115 SOLV HW2 345 1.091599941 0.901386824 1.371654041
116 SOLV OW 346 1.426660087 1.206617622 0.415690852
116 SOLV HW1 347 1.415860129 1.112446517 0.447581893
116 SOLV HW2 348 1.410641755 1.269580638 0.491723038
117 SOLV OW 349 1.465451429 0.686440077 1.163378767
117 SOLV HW1 350 1.399885557 0.611412951 1.154781007
117 SOLV HW2 351 1.424064947 0.770905916 1.129400794
118 SOLV OW 352 0.916862969 1.423130806 1.388319980
118 SOLV HW1 353 0.882156515 1.337857632 1.427381760
118 SOLV HW2 354 0.992053007 1.402854505 1.325573255
119 SOLV OW 355 0.255869985 0.906968466 1.229026046
119 SOLV HW1 356 0.304313962 0.992298741 1.209692142
119 SOLV HW2 357 0.206091978 0.877685822 1.147377419
120 SOLV OW 358 0.713555976 1.454804570 1.410709571
120 SOLV HW1 359 0.650648153 1.383609524 1.441946506
120 SOLV HW2 360 0.782661160 1.414273342 1.350847108
121 SOLV OW 361 1.139000163 0.224663479 0.724092587
121 SOLV HW1 362 1.214028058 0.226313040 0.657986848
121 SOLV HW2 363 1.173198587 0.252069973 0.813987934
122 SOLV OW 364 1.392988172 0.202756124 1.196876868
122 SOLV HW1 365 1.386568042 0.237060775 1.290599051
122 SOLV HW2 366 1.402158450 0.279789869 1.133761658
123 SOLV OW 367 1.354020196 1.185133529 1.177164295
123 SOLV HW1 368 1.363904531 1.085937989 1.169138113
123 SOLV HW2 369 1.427858622 1.221479287 1.233985894
124 SOLV OW 370 0.237843532 1.147502253 0.237165019
124 SOLV HW1 371 0.317328334 1.087456390 0.228303009
124 SOLV HW2 372 0.236055265 1.211907392 0.160675793
125 SOLV OW 373 0.189292574 0.449006467 0.717478537
125 SOLV HW1 374 0.258555959 0.442842950 0.789356693
125 SOLV HW2 375 0.168858082 0.545158331 0.699064624
126 SOLV OW 376 0.486920651 0.941340124 0.947216490
126 SOLV HW1 377 0.532854616 1.005580818 0.885856252
126 SOLV HW2 378 0.398407267 0.978960601 0.974637322
127 SOLV OW 379 0.692560591 0.969680479 0.477879978
127 SOLV HW1 380 0.775217136 0.929406005 0.438538688
127 SOLV HW2 381 0.670955087 0.923839373 0.564098402
128 SOLV OW 382 0.276906807 0.231223989 0.925449291
128 SOLV HW1 383 0.234222676 0.180611716 1.000404862
128 SOLV HW2 384 0.239728160 0.324018391 0.922488116
129 SOLV OW 385 0.950001549 0.957299807 0.670027971
129 SOLV HW1 386 0.865198465 1.005635839 0.691798127
129 SOLV HW2 387 0.932500868 0.858869823 0.667366034
130 SOLV OW 388 0.687210649 1.380988682 0.931401814
130 SOLV HW1 389 0.786313565 1.377375935 0.918462150
130 SOLV HW2 390 0.666340305 1.432203541 1.014728211
131 SOLV OW 391 0.195473977 1.383904109 0.942144495
131 SOLV HW1 392 0.197216107 1.391768456 1.041828956
131 SOLV HW2 393 0.288496786 1.392430751 0.906425104
132 SOLV OW 394 0.482596414 0.893402164 1.404162682
132 SOLV HW1 395 0.395488942 0.927051833 1.439965792
132 SOLV HW2 396 0.553950106 0.905704070 1.473149168
133 SOLV OW 397 0.702814585 0.736897665 1.186470134
133 SOLV HW1 398 0.690382029 0.796536280 1.107157197
133 SOLV HW2 399 0.691959645 0.641509513 1.158450635
134 SOLV OW 400 0.988914005 0.249313520 0.701527014
134 SOLV HW1 401 0.896993786 0.254147272 0.740631782
134 SOLV HW2 402 0.989408633 0.293859089 0.611987810
135 SOLV OW 403 0.719219852 0.265370873 1.205990631
135 SOLV HW1 404 0.724744822 0.218829486 1.117643313
135 SOLV HW2 405 0.633386396 0.241008124 1.251166906
136 SOLV OW 406 0.448928827 1.139042895 0.458316835
136 SOLV HW1 407 0.414326643 1.230402812 0.479716114
136 SOLV HW2 408 0.543729776 1.145774489 0.427183457
137 SOLV OW 409 1.396595212 1.373917858 0.681141420
137 SOLV HW1 410 1.476738725 1.363363784 0.740026933
137 SOLV HW2 411 1.384344545 1.470571209 0.658561065
138 SOLV OW 412 0.744745239 0.917550905 1.165092759
138 SOLV HW1 413 0.698481233 0.983754413 1.224072518
138 SOLV HW2 414 0.722985148 0.824831752 1.195612895
139 SOLV OW 415 0.732226094 1.181284535 0.417963809
139 SOLV HW1 416 0.739654570 1.117536060 0.494663381
139 SOLV HW2 417 0.658359984 1.246321125 0.435736297
140 SOLV OW 418 0.914045152 1.157476947 0.709530069
140 SOLV HW1 419 0.940741221 1.127427834 0.801106514
140 SOLV HW2 420 0.977021621 1.228528212 0.678105497
141 SOLV OW 421 0.912882079 0.729954119 0.996772386
141 SOLV HW1 422 0.986995326 0.795612171 0.982696818
141 SOLV HW2 423 0.883768766 0.693143274 0.908459317
142 SOLV OW 424 0.940262379 0.495976982 0.422907541
142 SOLV HW1 425 0.900645745 0.494608663 0.514725430
142 SOLV HW2 426 1.018296192 0.433527219 0.419361740
143 SOLV OW 427 1.423991012 0.494298141 0.959885613
143 SOLV HW1 428 1.336254846 0.449063999 0.943819741
143 SOLV HW2 429 1.497501188 0.426573939 0.956493271
144 SOLV OW 430 0.437911757 0.981101822 1.216223767
144 SOLV HW1 431 0.533025290 0.990329214 1.245722001
144 SOLV HW2 432 0.433126655 0.918670826 1.138241109
145 SOLV OW 433 0.733752060 1.444054208 0.674939729
145 SOLV HW1 434 0.723057043 1.466272149 0.771861627
145 SOLV HW2 435 0.704907290 1.349626115 0.659029481
146 SOLV OW 436 0.285317643 0.956631639 1.423881062
146 SOLV HW1 437 0.275770933 1.027378186 1.353840637
146 SOLV HW2 438 0.201987021 0.901424393 1.427041596
147 SOLV OW 439 0.936931053 0.501975041 1.361233625
147 SOLV HW1 440 0.932824759 0.406324067 1.390145633
147 SOLV HW2 441 0.965674472 0.558865667 1.438299144
148 SOLV OW 442 1.409702761 0.492557779 0.695665882
148 SOLV HW1 443 1.331877985 0.431382392 0.709904948
148 SOLV HW2 444 1.483012298 0.442927058 0.649143577
149 SOLV OW 445 0.182991571 1.160695712 0.463694716
149 SOLV HW1 446 0.269351036 1.188226500 0.421433940
149 SOLV HW2 447 0.193495179 1.159391223 0.563142160
150 SOLV OW 448 1.407937003 0.703510530 1.414652323
150 SOLV HW1 449 1.497714474 0.691658763 1.457095416
150 SOLV HW2 450 1.365992891 0.787788101 1.448413305
END
GENBOX
1
1.649414900 1.649414900 1.649414900
90.000000000 90.000000000 90.000000000
0.000000000 0.000000000 0.000000000
0.000000000 0.000000000 0.000000000
END
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cnfF.view
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