The FoldX plugin for YASARA is a software package to access and run FoldX commands in YASARA.
FoldX is a molecular modeling and protein design software program that calculates energy differences that come close to experimental values. FoldX can minimize a PDB structure, mutate one or more residues to new residues, do protein stability analysis, protein-protein interaction energy analysis and much more. FoldX is widely used to predict the effect of mutations on the stability of a protein or to predict the effect on protein-protein binding.
YASARA is a molecular-graphics, -modeling and -simulation program that finally makes it really easy to answer your biological questions. The 3D graphics and intuitive interface make it a very user-friendly protein and nucleic acid analysis package. It is also easily extendable by means of plugins.
FoldX is normally run from the command line without graphics. By installing the FoldX plugin for YASARA, you can access the most important FoldX tools at the touch of a button in the 3D graphical YASARA interface. You directly see the results of your FoldX protein analysis on screen.
FoldX, YASARA and the FoldX plugin for YASARA are all available for Linux, MacOSX and Windows.
This Python-based plugin finally enables scientists to carry out FoldX free energy predictions entirely interactive in the 3D graphical YASARA interface.
A few things you can do with the plugin:
- make one or multiple mutations and calculate the difference in free energy
- calculate the changes in interaction energy upon mutation
- minimize a structure with FoldX
- get a complete per-residue energy report of your structure
- a detailed documentation website including tutorials on free energy prediction
And this time you see it all happening on your screen!