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Input & output
PyMOL plugin
To use CASTpyMOL version 2, you must be using PyMOL version 0.99

The CASTpyMOL plugin allows for the visualization of surfaces and voids identified from CASTp using pyMOL. We would like to thank Sebastien Moretti for suggesting the plugin and Andrew Binkowski for implementing CASTpyMOL version 1. The CASTpyMOL v2.0 is maintained by Joe Dundas.


Right Click and Save As on the following link

CASTpyMOL.py v2.0

Simply place the *.pyc file into the following directory: PYMOLPATH/module/pmg_tk/startup/

Using the Plugin

The plugin can be used to visualize the precomputed pockets and voids from structures deposited in the PDB by referencing their 4-letter code. You may also visualize structures which you have uploaded to the CASTp server by referencing the CASTp upload id. This id appears on the visualization screen, below the file name, after an upload. If you had results emailed to you, this id will be referenced in the email. The CASTpyMOL plugin adheres to the same upload policy as the server so you will only be able to access your files for up to 2 months after uploading

Under the "PLugin" menu, select "CASTp pocket loader":

There are three options for loading a CASTp file
  • By PDB ID - Enter the PDB identification code and the plug-in will load the PDB and all the associated pockets.
  • By Job ID - Use this to visualize pocket information received when you upload a file to CASTp web server. Enter the job identification code you received when you processed your job on the CASTp web server.
  • By Local Files - If you had the results of a calculation e-mailed to you. Use this method to browse to the files on your hard disk. Select the *.pdb file. All other files received from the CASTp web server must be in the same directory.