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AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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PostPosted: Fri Sep 01, 2017 6:22 pm 
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Joined: Sat Aug 08, 2009 2:38 pm
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It is very convenient opening adt in the subdirectory containing the necessary files for docking a ligand to a protein as this automatically sets the path to that subdirectory.

However, it is necessary to change the path to autogrid and autodock each time that the Run pull down menu is used to start the respective calculations. Now I have autogrid, autodock and vina in their own subdirectory, not in the adt subdirectory tree. Is it possible to 'hard wire', the path to the executables in order to eliminate this necessity?


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