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3138 | bpr | 1 | type=chemistry |
13705 | obado | 2 | textarea="data file scriptinput scriptoutput pre post" |
3 | iEdit="pre post" |
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3138 | bpr | 4 | |
13705 | obado | 5 | :Select some atoms of a molecule |
3138 | bpr | 6 | |
7 | <p> |
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13705 | obado | 8 | We present a 3D interactive molecule (Jmol) and we ask to select certain atoms. |
9 | </p><p> |
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10 | To build an exercise with this model, just give the structure file and indicate the atoms to be selected. |
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11 | </p><p class="wims_credits"> |
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12 | Author of the model: Yves Noël & Bernadette Perrin-Riou <yves.noel@upmc.fr> |
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13 | </p> |
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3138 | bpr | 14 | :%%%%%%%%%%%%%%%%% ATTENTION %%%%%%%%%%%%%%%%%%%% |
15 | |||
11544 | obado | 16 | Remove the above header if you destroy the model tags! (The lines starting |
17 | with a ':'.) Otherwise the exercise might not be taken back by Createxo. |
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3138 | bpr | 18 | |
11544 | obado | 19 | :%%%%%%%% Sample parameters to be redefined %%%%%%%%%%%%%%%%% |
3138 | bpr | 20 | |
13705 | obado | 21 | :\title{Select in 3D} |
5147 | bpr | 22 | :\author{Yves, Noël ; Bernadette, Perrin-Riou} |
3138 | bpr | 23 | :\email{yves.noel@upmc.fr} |
5724 | bpr | 24 | :\credits{} |
3138 | bpr | 25 | |
13705 | obado | 26 | :MDMol file |
3138 | bpr | 27 | \text{file=xxx |
28 | Jmol version 11.7.31 2009-03-28 16:42 |
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29 | EXTRACT: visible |
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30 | 24 25 0 0 0 |
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7718 | bpr | 31 | -3.380413 -1.127236 0.5733036 H |
32 | 0.9668296 -1.073742 -0.819822 N |
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33 | 0.0567293 0.8527195 0.3923156 C |
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34 | -1.375174 -1.021224 -0.057055 N |
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35 | -1.261501 0.2590713 0.5234135 C |
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36 | -0.306833 -1.683633 -0.716934 C |
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37 | 1.1394234 0.1874122 -0.27009 C |
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38 | 0.5602627 2.0839095 0.8251589 N |
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39 | -0.492679 -2.818055 -1.209473 O |
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40 | -2.632807 -1.730396 -0.006095 C |
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41 | -2.230133 0.7988624 1.089973 O |
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42 | 2.549699 2.9734976 0.6229589 H |
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43 | 2.0527434 -1.736088 -1.493128 C |
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44 | -2.480771 -2.726952 0.4882631 H |
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45 | -3.008904 -1.902525 -1.049802 H |
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46 | 2.9176102 -1.848151 -0.785786 H |
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47 | 2.378786 -1.121191 -2.374365 H |
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48 | 1.7189878 -2.748991 -1.843920 H |
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49 | -0.151845 3.0970047 1.5348347 C |
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50 | 1.8934095 2.1181242 0.4193193 C |
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51 | 2.2861252 0.9968439 -0.244029 N |
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52 | -0.168702 4.043655 0.9301094 H |
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53 | 0.3535322 3.297906 2.5177748 H |
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54 | -1.207449 2.7537594 1.7203048 H |
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3138 | bpr | 55 | 24 19 1 |
56 | 22 19 1 |
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57 | 20 21 1 |
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58 | 20 12 1 |
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59 | 19 23 1 |
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60 | 19 8 1 |
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61 | 18 13 1 |
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62 | 15 10 1 |
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63 | 13 17 1 |
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64 | 13 16 1 |
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65 | 11 5 1 |
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66 | 10 14 1 |
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67 | 10 4 1 |
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68 | 9 6 1 |
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69 | 8 20 1 |
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70 | 7 21 1 |
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71 | 6 2 1 |
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72 | 5 3 1 |
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73 | 4 6 1 |
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74 | 4 5 1 |
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75 | 3 7 1 |
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76 | 3 8 1 |
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77 | 2 13 1 |
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78 | 2 7 1 |
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79 | 1 10 1 |
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80 | } |
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81 | |||
13705 | obado | 82 | :Applet size, in pixels, width x height |
3191 | bpr | 83 | |
13705 | obado | 84 | \text{size1=340x220} |
3191 | bpr | 85 | |
13705 | obado | 86 | :Atoms to click on (one of the lines will be random) |
87 | |||
3138 | bpr | 88 | \matrix{atom=_N |
89 | _O |
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90 | _C} |
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91 | |||
13705 | obado | 92 | :Instructions specific to each previous line |
3138 | bpr | 93 | |
13705 | obado | 94 | \matrix{names=nitrogen |
95 | oxygen |
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96 | carbon} |
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3138 | bpr | 97 | |
13705 | obado | 98 | :%%%%%%%%%%%%%% |
99 | \text{cnt=\atom[;1]} |
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100 | \integer{cnt=items(\cnt)} |
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101 | \text{sel=randint(1..\cnt)} |
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102 | \text{picked=\atom[\sel;]} |
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103 | |||
104 | \text{name=\names[\sel;]} |
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105 | :%%%%%%%%%%%%%% |
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106 | |||
107 | :Text before the applet |
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108 | Use the word \name to display the atom picked. |
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109 | \text{pre=Select all the <strong>\name</strong> atoms.} |
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110 | |||
111 | :Text after the applet |
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112 | \text{post=<i>Check that your browser's zoom is on the normal size.</i>} |
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113 | |||
114 | :Jmol script to perform when presenting the exercise |
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3191 | bpr | 115 | \text{scriptinput=select all;color atoms yellow; select none;} |
3138 | bpr | 116 | |
13705 | obado | 117 | :Jmol script to perform when presenting the response |
3391 | bpr | 118 | \text{scriptoutput=} |
3138 | bpr | 119 | |
120 | |||
121 | |||
11544 | obado | 122 | :%%%%%%%%%%%%%% Nothing to modify until statement %%%%%%%%%%%%%%%% |
3191 | bpr | 123 | |
124 | |||
13705 | obado | 125 | \statement{ |
126 | <div class="instruction">\pre</div> |
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127 | <div class="wimscenter"> |
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128 | \embed{reply 1, \size1 |
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129 | |||
3191 | bpr | 130 | \scriptinput |
3391 | bpr | 131 | \scriptoutput} |
13705 | obado | 132 | </div> |
133 | <div class="post">\post</div> |
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3138 | bpr | 134 | } |
135 | |||
11544 | obado | 136 | :%%%%%%%%%%%%% Nothing to modify after. %%%%%%%%%%%%%%%%%5 |
3138 | bpr | 137 | |
13705 | obado | 138 | \answer{}{\picked;\file}{type=jmolclick} |