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1 | 1 |
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2 |
| - |
| 2 | + <ul style="text-align: justify;"> |
3 | 3 | {% if step==1 %}
|
4 |
| - {% set kbdVar="auto" %} |
5 |
| - {% set ssVar="hidden" %} |
6 |
| - <ul style="color: black; text-align: justify;"> |
| 4 | + {% set kbdVar="auto" %} |
| 5 | + {% set ssVar="hidden" %} |
| 6 | + <li style="color: black;"> |
7 | 7 | {% else %}
|
8 |
| - {% set kbdVar="hidden" %} |
9 |
| - {% set ssVar="auto" %} |
10 |
| - <ul style="color: Gray; text-align: justify;"> |
| 8 | + {% set kbdVar="hidden" %} |
| 9 | + {% set ssVar="auto" %} |
| 10 | + <li style="color: Gray;"> |
11 | 11 | {% endif %}
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12 |
| - <li> |
13 | 12 | Upload the input file, select its corresponding file format, and press
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14 | 13 | <kbd {{kbdVar}}>Calculate my structure</kbd>
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15 | 14 | <strong {{ssVar}}><samp {{ssVar}}>Calculate my structure</samp></strong>
|
16 | 15 | .
|
17 | 16 | </li>
|
18 |
| - </ul> |
19 |
| - |
20 |
| -</br> |
| 17 | + <br/> |
21 | 18 |
|
22 | 19 | {% if step==2 %}
|
23 |
| - {% set kbdVar="auto" %} |
24 |
| - {% set ssVar="hidden" %} |
25 |
| - <ul style="color: black; text-align: justify;"> |
| 20 | + {% set kbdVar="auto" %} |
| 21 | + {% set ssVar="hidden" %} |
| 22 | + <li style="color: black;"> |
26 | 23 | {% else %}
|
27 |
| - {% set kbdVar="hidden" %} |
28 |
| - {% set ssVar="auto" %} |
29 |
| - <ul style="color: Gray; text-align: justify;"> |
| 24 | + {% set kbdVar="hidden" %} |
| 25 | + {% set ssVar="auto" %} |
| 26 | + <li style="color: Gray;"> |
30 | 27 | {% endif %}
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31 |
| - <li> |
32 | 28 | If the input file was imported and interpreted successfully, you will be able to view basic structure information under
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33 | 29 | the
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34 | 30 | <kbd {{kbdVar}}>Structure information</kbd>
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39 | 35 | and wait.
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40 | 36 | The waiting time depends on the structure size and complexity.
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41 | 37 | </li>
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42 |
| - </ul> |
43 |
| - |
44 |
| -</br> |
45 |
| - |
| 38 | + <br/> |
46 | 39 |
|
47 | 40 | {% if step==3 %}
|
48 |
| - {% set kbdVar="auto" %} |
49 |
| - {% set ssVar="hidden" %} |
50 |
| - <ul style="color: black; text-align: justify;"> |
| 41 | + {% set kbdVar="auto" %} |
| 42 | + {% set ssVar="hidden" %} |
| 43 | + <li style="color: black;"> |
51 | 44 | {% else %}
|
52 |
| - {% set kbdVar="hidden" %} |
53 |
| - {% set ssVar="auto" %} |
54 |
| - <ul style="color: Gray; text-align: justify;"> |
| 45 | + {% set kbdVar="hidden" %} |
| 46 | + {% set ssVar="auto" %} |
| 47 | + <li style="color: Gray;"> |
55 | 48 | {% endif %}
|
56 |
| - <li> |
57 | 49 | If the structure was analyzed successfully, you will be able to view its analysis under the
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58 | 50 | <kbd {{kbdVar}}>Structure analysis</kbd>
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59 | 51 | <strong {{ssVar}}><samp {{ssVar}}>Structure analysis</strong></samp>
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65 | 57 | <strong {{ssVar}}><samp {{ssVar}}>View structure</strong></samp>
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66 | 58 | to view, interact and download specific molecules or complexes.
|
67 | 59 | </li>
|
68 |
| - </ul> |
69 |
| - |
70 |
| -</br> |
| 60 | + <br/> |
71 | 61 |
|
72 | 62 | {% if step==4 %}
|
73 |
| - {% set kbdVar="auto" %} |
74 |
| - {% set ssVar="hidden" %} |
75 |
| - <ul style="color: black; text-align: justify;"> |
| 63 | + {% set kbdVar="auto" %} |
| 64 | + {% set ssVar="hidden" %} |
| 65 | + <li style="color: black;"> |
76 | 66 | {% else %}
|
77 |
| - {% set kbdVar="hidden" %} |
78 |
| - {% set ssVar="auto" %} |
79 |
| - <ul style="color: Gray; text-align: justify;"> |
| 67 | + {% set kbdVar="hidden" %} |
| 68 | + {% set ssVar="auto" %} |
| 69 | + <li style="color: Gray;"> |
80 | 70 | {% endif %}
|
81 |
| - <li> |
82 |
| - By double-clicking on the 3d structure you will be able to zoom in, zoom out, and rotate the model. On the left column, |
83 |
| - you can select which molecular components (ligands, molecules, or metals) are displayed. Below the 3d structure, you will find a toggle |
84 |
| - button to select if you want to view the cell or one mol (molecule or complex). When mol is selected, you can use the |
85 |
| - dropdown menu to choose one to visualize. The xyz file of the selected mol containing |
86 |
| - charge, spin, and cartesian coordinates (ready for quantum chemical calculations), can be downloaded by clicking |
87 |
| - <kbd {{kbdVar}}>Download selected mol (.xyz)</kbd> |
88 |
| - <strong {{ssVar}}><samp {{ssVar}}>Download selected mol (.xyz)</strong></samp> |
89 |
| - . |
90 |
| - </li> |
91 |
| -</ul> |
| 71 | + By double-clicking on the 3d structure you will be able to zoom in, zoom out, and rotate the model. On the left column, |
| 72 | + you can select which molecular components (ligands, molecules, or metals) are displayed. Below the 3d structure, you will find a toggle |
| 73 | + button to select if you want to view the cell or one mol (molecule or complex). When mol is selected, you can use the |
| 74 | + dropdown menu to choose one to visualize. The xyz file of the selected mol containing |
| 75 | + charge, spin, and cartesian coordinates (ready for quantum chemical calculations), can be downloaded by clicking |
| 76 | + <kbd {{kbdVar}}>Download selected mol (.xyz)</kbd> |
| 77 | + <strong {{ssVar}}><samp {{ssVar}}>Download selected mol (.xyz)</strong></samp> |
| 78 | + . |
| 79 | + </li> |
| 80 | + </ul> |
92 | 81 |
|
93 | 82 | <p style="text-align: justify;">
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94 | 83 | {% if step==-1 %}
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