Simulated Landscape

Generate in silico a mutational landscape of a protein


Determine the mutational landscape of a protein from a Rosetta pmut_scan output.

The input files for this tool are the outputs from a pmut_scan run launched along with relevant constraints and params files thusly:

pmut_scan_parallel -ex1 -ex1aro -ex2 -extrachi_cutoff 1 -DDG_cutoff 999 -mute basic core -s your_structure.pdb > scores.txt
The -DDG_cutoff 999 flag is high because we want all mutants. Actually, despite the memory, adding the -output_mutant_structures true flag is also rather handy for the analysis.
Provide one or more files (do not worry about header rows; the PDB numbering will be used. No negative positions):

AA oder