FoldX
Description
FoldX provides a fast and quantitative estimation of the importance of the interactions contributing to the stability of proteins and protein complexes. The predictive power of FoldX has been tested on a very large set of point mutants (1088 mutants) spanning most of the structural environments found in proteins. FoldX uses a full atomic description of the structure of the proteins. The different energy terms taken into account in FoldX have been weighted using empirical data obtained from protein engineering experiments. The present energy function uses a minimum of computational resources and can therefore easily be used in protein design algorithms, and in the field of protein structure and folding pathways prediction where one requires a fast and accurate energy function.
License
WARNING: If you want to be able to use FoldX in MetaCentrum, you have to read and accept it's license agreement. Please note that academic license of FoldX prohibits some behaviour,
such as commercial computations.
After reading and accepting the license for the first time, you will be able to review it's contents anytime by looking at /software/foldx/4/license.txt
Usage
Upcoming modulesystem change alert!
Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.
You can test the new version now by adding a line
source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules
to your script before loading a module. Then, you can list all versions of foldx and load default version of foldx as
module avail foldx/ # list available modules module load foldx # load (default) module
If you wish to keep up to the current system, it is still possible. Simply list all modules by
module avail foldx
and choose explicit version you want to use.
Documentation
You can find documentation at the official website: http://foldxsuite.crg.eu/documentation.