Ab initio peptide design to use as ligands in docking
I need to create peptides to use them as flexible ligands in docking (DockThor platform). I'm new at pyRosetta so I've only seen 1 tutorial until now. I'm using the following code
import pyrosetta
from pyrosetta import *
from pyrosetta.toolbox import *
init()
peptide_sequence = 'insert peptide sequence'
pose = pose_from_sequence(peptide_sequence)
scorefxn = get_fa_scorefxn()
# define variavel score before relax
score_before_relax = scorefxn(pose)