User:Mary Mendoza/Notebook/CHEM572 Exp. Biological Chemistry II/2013/01/30: Difference between revisions
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== | ==Molecular Fingerprinting and Docking of Compounds to the ADA active site== | ||
* | * From the assigned computer, a new terminal was created from either of the following steps: | ||
1. Finder > Services > New terminal at folder | |||
-or- | |||
2. press the provided shortcut key F5 | |||
* Then enter $maestro to open the suite. | |||
* Draw the molecule on the workspace area. Modifications can be made through the Edit panel > build > fragments > atom properties. Sponge the drawn molecule for clarity. | |||
* To save the molecule, create this entry on the project table -or- from the workspace option > project entry > name and create the project and then save. | |||
* The next step is to put the molecule under energy minimization to find a stable energetically conformation. | |||
Revision as of 09:18, 5 February 2013
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Molecular Fingerprinting and Docking of Compounds to the ADA active site
1. Finder > Services > New terminal at folder -or- 2. press the provided shortcut key F5
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