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Rosetta
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Namespaces | |
| silent_file_map | |
Functions | |
| def | pose_from_pdb (filename) |
| def | pose_from_sequence (seq, res_type="fa_standard", auto_termini=True) |
| def | poses_from_files (objs, *args, **kwargs) |
| def | poses_from_sequences (objs, *args, **kwargs) |
| def | poses_from_silent (silent_filename) |
| def | poses_to_silent (poses, output_filename) |
| def pyrosetta.io.pose_from_pdb | ( | filename | ) |
References pyrosetta.distributed.io.pose_from_file.
Referenced by graphics_main(), HemeReplace.HemeReplace(), main(), sequence_tolerance_mf_main(), and test_protein_rna().
| def pyrosetta.io.pose_from_sequence | ( | seq, | |
res_type = "fa_standard", |
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auto_termini = True |
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| ) |
Returns a Pose object generated from a single-letter sequence of amino acid
residues in <seq> using the <res_type> ResidueType and creates N- and C-
termini if <auto_termini> is set to True.
Unlike make_pose_from_sequence(), this method generates a default PDBInfo
and sets all torsion angles to 180 degrees.
Example:
pose = pose_from_sequence("THANKSEVAN")
See also:
Pose
make_pose_from_sequence()
pose_from_file()
pose_from_rcsb()
References range.
Referenced by pyrosetta.io.poses_from_sequences(), pyrosetta.tests.bindings.core.test_pose.TestPosesToSilent.test_poses_to_silent(), pyrosetta.tests.distributed.cluster.test_smoke.SmokeTest.test_smoke(), pyrosetta.tests.distributed.cluster.test_smoke.SmokeTestMulti.test_smoke_multi(), and pyrosetta.tests.distributed.cluster.test_smoke.SmokeTestMulti.test_smoke_multi_from_instance().
| def pyrosetta.io.poses_from_files | ( | objs, | |
| * | args, | ||
| ** | kwargs | ||
| ) |
Returns an iterator object which is composed of Pose objects from input files.
Example:
import glob
poses = pyrosetta.io.poses_from_files(glob.glob("path/to/pdbs/*.pdb"))
References pyrosetta.distributed.io.pose_from_file.
Referenced by apps::public1::scenarios::chemically_conjugated_docking.add_extra_bodies(), InterfaceStrandFinderMover.apply(), MPDomainAssembly.apply(), doit(), and main().
| def pyrosetta.io.poses_from_sequences | ( | objs, | |
| * | args, | ||
| ** | kwargs | ||
| ) |
Returns an iterator object which is composed of Pose objects with input sequences. Example: poses = pyrosetta.io.poses_from_sequences(["TEST", "TESTING [ATP]", "ACDEFGHIKLMNPQRSTVWY"])
References pyrosetta.io.pose_from_sequence().
Referenced by pyrosetta.tests.bindings.core.test_pose.TestPoseIO.test_pose_io().
| def pyrosetta.io.poses_from_silent | ( | silent_filename | ) |
Returns an Iterator object which is composed of Pose objects from a silent file. @atom-moyer
Referenced by pyrosetta.tests.bindings.core.test_pose.TestPosesToSilent.test_poses_to_silent().
| def pyrosetta.io.poses_to_silent | ( | poses, | |
| output_filename | |||
| ) |
Takes a Pose or list of poses and outputs them as a binary silent file.
This method requires a Pose object.
If you are using a PackedPose, use pyrosetta.distributed.io.to_silent()
Inputs:
poses: Pose or list of poses. This function automatically detects which one.
output_filename: The desired name of the output silent file.
Example:
poses_to_silent(poses, "mydesigns.silent")
The decoy name written to your silent file is take from pose.pdb_info().name()
To set a different decoy name, change it in your pose before calling this function.
Example:
pose.pdb_info().name("my_tag.pdb")
@srgerb
References basic::options::OptionKeys::ddg.output_silent.
Referenced by pyrosetta.tests.bindings.core.test_pose.TestPosesToSilent.test_poses_to_silent(), and pyrosetta.distributed.io.to_silent().