User:Dhea Patel/Notebook/CHEM 572: ADA&Inhibitor Kinetics/2013/01/30: Difference between revisions
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==Objective== | |||
*to use Maestro and Canvas to calculate molecular fingerprints and docking scores of various commercial compounds in relation to the ADA active site. | |||
*Taken from [[User:Mary_Mendoza/Notebook/CHEM572_Exp._Biological_Chemistry_II/2013/01/30|Mary's Notebook]]. We did all the steps together. | *Taken from [[User:Mary_Mendoza/Notebook/CHEM572_Exp._Biological_Chemistry_II/2013/01/30|Mary's Notebook]]. We did all the steps together. | ||
== | ==Opening Maestro== | ||
#From the assigned computer, a new terminal was created by either: | |||
##Finder > Services > New terminal at folder OR | |||
##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. | |||
#Save the molecule: | |||
##create this entry on the project table OR | |||
##Workspace option > project entry > name and create the project and then save. | |||
#Put the molecule under energy minimization to find a stable energetically conformation. | |||
Revision as of 12:10, 6 February 2013
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Objective
Opening Maestro
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