Autodock plugin: Difference between revisions
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util.cbay EFP | util.cbay EFP | ||
</syntaxhighlight> | </syntaxhighlight> | ||
Set executable to | Open the Autodock/Vina plugin. Set executable to folders: | ||
Autodock Tools: /home/dseelig/lib/python2.5/site-packages/AutoDockTools/Utilities24 | Autodock Tools: /home/dseelig/lib/python2.5/site-packages/AutoDockTools/Utilities24 | ||
autogrid4 executable: /home/dseelig/ADT_bin/autogrid4 | autogrid4 executable: /home/dseelig/ADT_bin/autogrid4 | ||
Revision as of 11:36, 4 December 2011
Description
This plugin should help to set up docking runs with Autodock and view docking results. It has two features:
- Setup of a docking grid for Autodock with PyMOL.
- View the docking results.
Installation
you can download it manually
- Download plugin
- PyMOL > Plugin > Install Plugin
- MGLTools/AutoDockTools
- AutoDock4.2
- AutoDock Vina
Tutorial Video
Watch Dan Seeliger's autodock plugin tutorial.
Author
Example
The example of video http://wwwuser.gwdg.de/~dseelig/plugin_tutorial.html
reinitialize
fetch 3IG7, async=0
hide everything, all
create cdk2, 3IG7 and polymer
create EFP, 3IG7 and organic
delete 3IG7
show_as cartoon, cdk2
show_as sticks, EFP
util.cbay EFP
Open the Autodock/Vina plugin. Set executable to folders:
Autodock Tools: /home/dseelig/lib/python2.5/site-packages/AutoDockTools/Utilities24 autogrid4 executable: /home/dseelig/ADT_bin/autogrid4 autogrid4 executable: /home/dseelig/ADT_bin/autodock4 vina executable: /home/dseelig/vina/vina
Enlarge the window and click Save Plugin Configuration file