Design API

The Design API runs the Rosetta FastDesign protocol given an input PDB file and a residue file (resfile). FastDesign performs FastRelax with design enabled to create designed structures for residue parameters defined by the input resfile (See References for more information on the FastDesign protocol)

Examples

Run design on an input structure to generate 10 new design models

lev engine submit design --pdb-file=input.pdb --res-file=input.res --repeats 10

Inputs

• --pdb-file
  • Input PDB file to run design on
  • The PDB file should be cleaned prior to input using the Clean PDB API.
• --res-file
  • Input residue file
  • The resfile is a standard Rosetta resfile, documented here: Resfile syntax and conventions

Options

• --repeats (int32)
  • Number of iterations to relax
  • default = 1

Output

• models.tgz
  • Designed models

References

Rosetta FastDesign

Rosetta Resfile