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Difference between revisions of "Autodock plugin"
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== Example == | == Example == | ||
| + | The example of video http://wwwuser.gwdg.de/~dseelig/plugin_tutorial.html | ||
<syntaxhighlight lang="python"> | <syntaxhighlight lang="python"> | ||
reinitialize | reinitialize | ||
| Line 34: | Line 35: | ||
util.cbay EFP | util.cbay EFP | ||
</syntaxhighlight> | </syntaxhighlight> | ||
| + | Set executable to folder: | ||
| + | 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''' | ||
[[Category:Plugins]] | [[Category:Plugins]] | ||
Revision as of 16:34, 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
Set executable to folder:
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