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.




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