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VSDMIP: Windows installation instructions

Let's define two typical scenarios:
  • Single docking machine with analysis tools
  • Client machine of a Linux cluster

Single docking machine with analysis tools

This is the simplest case and you only will need to install two things: Local package and the plugin.

Steps:

  1. Download the local package
  2. Follow the instructions of the wizard to install local tools (CDOCK, CGRID, ALFA and GTP)
  3. Remember that you need an academic license from OpenEye to run conformation analysis (ALFA). You can ask for it here
  4. Install the plugin in your PyMOL installation following the steps explained here
  5. Configure all the paths in the plugin (Local->Options) to fit with your installation path of the local package (C:\VSDMIP by default)
  6. Have fun with free docking!

Client machine of a Linux cluster

In this case, you will need to install all the packages provided for Windows: Local package, OpenBABEL 2.3.0mod and the plugin

Steps:

  1. Follow the steps of the previous case
  2. Additionally, download the OpenBabel 2.3.0mod package, and follow the instructions given.
  3. Have fun with free docking!

Plugin installation screencast

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