FIRST OF ALL!!! Download your system specific FoldX executable (FoldX4 comes with rotabase.txt file), Yasara from http://www.yasara.org and Yasara Plugin. Install Yasara.
REQUIREMENT: You need Python to use the plugin. In Windows, Open Yasara and try to click Help > Install > Python. If this option is not clickable, Python is already installed.
Installation is really simple, you just need to go to Yasara's installation folder and look for the directory plg, extract the plugin's gz file, copy all the included files directly into the mentioned plg folder and then:
- Open Yasara.
- Load any pdb in order to access the Analyze menu.
- Go to Analyze/FoldX4/ConfigurePlugin
- Set FoldX binary's location
- Set rotabase.txt location (only for Foldx4)
You are done to work with FoldX.
If you also wants to use fragment libraries for LoopX then:
- Open Yasara.
- Load any pdb in order to access the Analyze menu.
- Go to Analyze/FoldX4/ConfigureLoopXPlugin
- Set FoldX4 binary's location
- Set LoopX database name
- Set LoopX host name
- Set LoopX user name
- Set LoopX password
- Set LoopX database port
- Set LoopX pdb dir
- Set similarity matrix
You are done to work with LoopX through Yasara.
SOME ADVISES!!!!
- Dont use numbers as molecule or object names
- Dont use spaces neither in the FoldX executable nor in the rotabase.txt or Yasara locations
- Of course dont include spaces in the route of your working directory