User:Karsten Theis/Animation course: Difference between revisions

From Proteopedia
Jump to navigation Jump to search
Karsten Theis (talk | contribs)
No edit summary
Karsten Theis (talk | contribs)
No edit summary
 
Line 182: Line 182:
===Recall ligand position===
===Recall ligand position===
Clicking on the links below will restore the ligand position (scene0 is the original position in the binding pocket):
Clicking on the links below will restore the ligand position (scene0 is the original position in the binding pocket):
<jmol><jmolLink><script>ROTATE COMPARE {BF0} @{temp0} -2</script><text>retrieve state 0</text></jmolLink></jmol>
<jmol><jmolLink><script>ROTATE COMPARE {BF0} @{temp0} -2</script><text>retrieve state 0</text></jmolLink></jmol>


Line 194: Line 195:
To animate, click below
To animate, click below


<jmol><jmolLink><script>set picking none</script><text>turn of ligand dragging</text></jmolLink></jmol>
<jmol><jmolLink><script>set picking none</script><text>turn off ligand dragging</text></jmolLink></jmol>


<jmol><jmolLink><script>ROTATE COMPARE {BF0} @{temp3} -2; ROTATE COMPARE {BF0} @{temp2} -2; ROTATE COMPARE {BF0} @{temp1} -2; ROTATE COMPARE {BF0} @{temp0} -2;</script><text>bind</text></jmolLink></jmol>
<jmol><jmolLink><script>ROTATE COMPARE {BF0} @{temp3} -2; ROTATE COMPARE {BF0} @{temp2} -2; ROTATE COMPARE {BF0} @{temp1} -2; ROTATE COMPARE {BF0} @{temp0} -2;</script><text>bind</text></jmolLink></jmol>

Latest revision as of 16:39, 10 February 2025


Animate a scene with Jmol

Load the scene and choose a look

Open and try different representations and colors.

1. Choose a background:


2. How, if it all, do you want to show the protein?


3. How do you want the opioid to look like?


4. Other choices:

Save some orientations

Using your skills from the viewing guide, explore the scene (zoom, rotate, drag, label, measure etc).

Every time you find an orientation (rotation, translation, zoom), click a different one of these links. You can restore the orientation by clicking on the link in the next section.


Transition between orientations

Go to different views:

Animate between the four views:

Select a transition speed:

The following animation brings you to view 1, then 2, 3, and 4

Show the underlying commands

Dock a ligand

Click and drag on the ligand to move it. Alt-click and drag on the ligand to rotate it. Click and drag away from the ligand to adjust the view. To store each consecutive ligand position, consecutively click on the links below:

Recall ligand position

Clicking on the links below will restore the ligand position (scene0 is the original position in the binding pocket):

To animate, click below

Show the saved states in a console:

To get to state 1, the command "ROTATE COMPARE {BF0} @{temp1} -2" is used, etc.

Two competing ligands



Recall ligand position

Clicking on the links below will restore the agonist and antagonist positions:

Show the saved states in a console:

Collection of molecules

()


Three phases of opioid addiction


Phase 1: Prescription opioids

Phase 2: Heroin


Phase 3: Fentanyl and other synthetics

Morph a helix

Here is the SARS-2 .

()

Click and drag on the ligand to move it. Alt-click and drag on the ligand to rotate it. Click and drag away from the ligand to adjust the view. To store each consecutive ligand position, consecutively click on the links below:

Recall ligand position

Clicking on the links below will restore the ligand position (scene0 is the original position in the binding pocket):

To animate, click below

Show the saved states in a console:

To get to state 1, the command "ROTATE COMPARE {:X} @{temp1} -2" is used, etc.



Drag the structure with the mouse to rotate

ReferencesReferences