Avogadro Procedure: Difference between revisions
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Avogadro | ====== Avogadro ====== | ||
# After doing these steps for all the molecules you wanted to create then open the program Avogadro. | # After doing these steps for all the molecules you wanted to create then open the program Avogadro. | ||
# Go to “File” and “Open” to bring a molecule you created in ChemSketch to Avogadro. Find your molecule that you want to bring to Avogadro and select it to open it. Click “Yes” when a small window pops up about 3D coordinates and a rough sketch. | # Go to “File” and “Open” to bring a molecule you created in ChemSketch to Avogadro. Find your molecule that you want to bring to Avogadro and select it to open it. Click “Yes” when a small window pops up about 3D coordinates and a rough sketch. | ||
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# * There is another way to Optimize Geometry How do we do it again??? | # * There is another way to Optimize Geometry How do we do it again??? | ||
# Save the file as “Sybyl Mol2 (*.mol2)” | # Save the file as “Sybyl Mol2 (*.mol2)” | ||
# Exit Avogadro. | # Exit Avogadro.<br /> | ||
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Latest revision as of 20:55, 26 September 2022
Avogadro
- After doing these steps for all the molecules you wanted to create then open the program Avogadro.
- Go to “File” and “Open” to bring a molecule you created in ChemSketch to Avogadro. Find your molecule that you want to bring to Avogadro and select it to open it. Click “Yes” when a small window pops up about 3D coordinates and a rough sketch.
- Once the molecule is on Avogadro then go to “Extensions” and select “Optimize geometry.”
- * There is another way to Optimize Geometry How do we do it again???
- Save the file as “Sybyl Mol2 (*.mol2)”
- Exit Avogadro.