generate_resfile

pyrosetta.toolbox.generate_resfile.generate_resfile_from_pdb(pdbfilename, resfilename, pack=True, design=False, input_sc=True, freeze=[], specific={})

Generate a resfile from a PDB file and write it to a file.

Args:

pdbfilename (str): the PDB filename to use to for resfile creation.

pack (bool): True allows packing, False disallows. Defaults to True.

design (bool): True allows design using all amino acids, False disables design.

Defaults to False.

input_sc (bool): Toggles the inclusion of the original side-chain conformations.

Defaults to True.

freeze (list): An optional list of residue numbers to exclude from packing and/or

design.

specific (dict): An optional dictionary with residue numbers and resfile keywords

as key-value pairs.

pyrosetta.toolbox.generate_resfile.generate_resfile_from_pose(pack_or_pose, resfilename, pack=True, design=False, input_sc=True, freeze=[], specific={})

Generate a resfile from a pose and write it to a file.

Args:

pack_or_pose (pyrosetta.rosetta.core.pose.Pose OR pyrosetta.distributed.packed_pose.PackedPose):

the Pose instance to use to for resfile creation.

pack (bool): True allows packing, False disallows. Defaults to True.

design (bool): True allows design using all amino acids, False disables design.

Defaults to False.

input_sc (bool): Toggles the inclusion of the original side-chain conformations.

Defaults to True.

freeze (list): An optional list of residue numbers to exclude from packing and/or

design.

specific (dict): An optional dictionary with residue numbers and resfile keywords

as key-value pairs.