User:Wayne Decatur/Sandbox TestCompareinScriptAuthoring: Difference between revisions
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m adding compare that fails and how it can be seen to work |
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To see for yourself:<br> | To see for yourself:<br> | ||
Click on the pop-up below the Jmol window to open the two models in a pop-up window, and thn paste the code used for the script that the button (green text) should trigger into the Jmol Console and it works moving the models to superimpose and reports "RMSD 3.64 --> 3.54 Angstroms". | Click on the pop-up below the Jmol window to open the two models in a pop-up window, and thn paste the code used for the script that the button (green text) should trigger into the Jmol Console and it works moving the models to superimpose and reports "RMSD 3.64 --> 3.54 Angstroms". | ||
The code is below:<br> | The code is below: (Unortunately it runs off to the right so make sure you grab it all.<br> | ||
<pre> | <pre> | ||
define domain1model1 94-139:a and model=1.1; | define domain1model1 94-139:a and model=1.1; | ||
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origcoord = {1.1}.xyz.all; | origcoord = {1.1}.xyz.all; | ||
compare {1.1} {1.2} ATOMS {domain1model1}{domain1model2},{domain2model1}{domain2model2},{domain3model1}{domain3model2},{domain5model1}{domain5model2} ROTATE TRANSLATE -2.5; | compare {1.1} {1.2} ATOMS {domain1model1}{domain1model2},{domain2model1}{domain2model2},{domain3model1}{domain3model2},{domain5model1}{domain5model2} ROTATE TRANSLATE -2.5; | ||
</pre> | |||
<br> | |||
You can even paste in the code below to see it go back:<br> | |||
<pre> | |||
rotate COMPARE {1.1} @origcoord -2.5; | |||
</pre> | </pre> | ||
