This is a read-only mirror of pymolwiki.org

Difference between revisions of "Autodock plugin"

From PyMOL Wiki
Jump to navigation Jump to search
Line 21: Line 21:
 
[[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:

  1. Setup of a docking grid for Autodock with PyMOL.
  2. View the docking results.

Installation

you can download it manually

  1. Download plugin
  2. PyMOL > Plugin > Install Plugin
  3. MGLTools/AutoDockTools
  4. AutoDock4.2
  5. AutoDock Vina

Tutorial Video

Watch Dan Seeliger's autodock plugin tutorial.

Author

Daniel Seeliger

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