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Difference between revisions of "Autodock plugin"
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[[User:Dseelig|Daniel Seeliger]] | [[User:Dseelig|Daniel Seeliger]] | ||
| + | == Example == | ||
| + | <syntaxhighlight lang="python"> | ||
| + | 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 | ||
| + | </syntaxhighlight> | ||
[[Category:Plugins]] | [[Category:Plugins]] | ||
Revision as of 16:29, 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
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