Rosetta
2019.07
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Functions | |
def | generate_resfile_from_pose |
def | generate_resfile_from_pdb |
def pyrosetta.toolbox.generate_resfile.generate_resfile_from_pdb | ( | pdbfilename, | |
resfilename, | |||
pack = True , |
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design = False , |
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input_sc = True , |
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freeze = list() , |
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specific = dict() |
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) |
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.
References pyrosetta.toolbox.generate_resfile.generate_resfile_from_pose(), and pyrosetta.distributed.io.pose_from_file.
Referenced by pyrosetta.toolbox.generate_resfile.generate_resfile_from_pose().
def pyrosetta.toolbox.generate_resfile.generate_resfile_from_pose | ( | pack_or_pose, | |
resfilename, | |||
pack = True , |
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design = False , |
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input_sc = True , |
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freeze = list() , |
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specific = dict() |
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) |
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.
References pyrosetta.toolbox.generate_resfile.generate_resfile_from_pdb(), fmt.join(), basic::options::OptionKeys::in::file.list, basic::database.open(), and ObjexxFCL.rjust().
Referenced by pyrosetta.toolbox.generate_resfile.generate_resfile_from_pdb().