Introduction to Jmol: Difference between revisions
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== What is Jmol? == | == What is Jmol? == | ||
Jmol is | Jmol is a free, open-source program that allows the viewer to see chemical structures in three dimensions. Jmol previously used Java, but has now switched to HTML5-only. | ||
[[Image:Jmol.png|325px|right|thumb| <span style="font-size:1.2em;"></span>]] | [[Image:Jmol.png|325px|right|thumb| <span style="font-size:1.2em;"></span>]] | ||
What makes this program very useful is Jmol's ability to manipulate the 3D models and display the molecules as "ball and stick," "space filling," "ribbon," "cartoon," etc. One can also do a combination of any or all possible displays. For example: one can display a ligand as "ball and stick" while displaying the protein its interacting with in a "cartoon" display. | What makes this program very useful is Jmol's ability to manipulate the 3D models and display the molecules as "ball and stick," "space filling," "ribbon," "cartoon," etc. One can also do a combination of any or all possible displays. For example: one can display a ligand as "ball and stick" while displaying the protein its interacting with in a "cartoon" display. | ||
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This drug is a good example, because it will allow us to view how the drug is able to fit into a pocket withing the protease. The first scene that we see here is one pulled from RCSB Protein Data Bank. | This drug is a good example, because it will allow us to view how the drug is able to fit into a pocket withing the protease. The first scene that we see here is one pulled from RCSB Protein Data Bank. | ||
This scene demonstrates the secondary structure of the <scene name='55/552182/Protease/1'>protease</scene>. The ligand and water molecules have been hidden in order to view the protein alone. | |||
This scene shows the <scene name='55/552182/Pocket/1'>pocket</scene> in which darunavir fits into. | |||
After inverting the selection and targeting the ligand we can visualize <scene name='55/552182/Darunavir/2'>darunavir</scene>. | |||
</StructureSection> | </StructureSection> | ||
