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- build_pose_from_pdb_as_is(...) method of builtins.PyCapsule instance
- build_pose_from_pdb_as_is(*args, **kwargs)
Overloaded function.
1. build_pose_from_pdb_as_is(pose : rosetta.core.pose.Pose, filename : str) -> NoneType
Builds a pose into <pose>, without repacking or optimizing
hydrogens; using the full-atom ResidueTypeSet
2. build_pose_from_pdb_as_is(pose : rosetta.core.pose.Pose, filename : str, pdr_options : rosetta.core.io.StructFileReaderOptions) -> NoneType
Builds a pose into <pose>, without repacking or optimizing
hydrogens; using the full-atom ResidueTypeSet and a set of options.
3. build_pose_from_pdb_as_is(pose : rosetta.core.pose.Pose, residue_set : rosetta.core.chemical.ResidueTypeSet, filename : str) -> NoneType
4. build_pose_from_pdb_as_is(pose : rosetta.core.pose.Pose, residue_set : rosetta.core.chemical.ResidueTypeSet, filename : str, pdr_options : rosetta.core.io.StructFileReaderOptions) -> NoneType
- create_pdb_contents_from_sfr(...) method of builtins.PyCapsule instance
- create_pdb_contents_from_sfr(*args, **kwargs)
Overloaded function.
1. create_pdb_contents_from_sfr(sfr : core::io::StructFileRep) -> str
Create a full .pdb as a string given a StructFileRep object.
2. create_pdb_contents_from_sfr(sfr : core::io::StructFileRep, options : rosetta.core.io.StructFileRepOptions) -> str
Create a full .pdb as a string given a StructFileRep object.
- create_sfr_from_pdb_file_contents(...) method of builtins.PyCapsule instance
- create_sfr_from_pdb_file_contents(*args, **kwargs)
Overloaded function.
1. create_sfr_from_pdb_file_contents(pdb_contents : str, options : rosetta.core.io.StructFileReaderOptions) -> rosetta.core.io.StructFileRep
Create a representation of structural file data from .pdb file contents with options.
2. create_sfr_from_pdb_file_contents(pdb_contents : str) -> rosetta.core.io.StructFileRep
Create a representation of structural file data from .pdb file contents.
- dump_pdb(...) method of builtins.PyCapsule instance
- dump_pdb(*args, **kwargs)
Overloaded function.
1. dump_pdb(pose : rosetta.core.pose.Pose, extra_data : str, add_score_data : bool, add_extra_score_data : bool, out : utility::io::ozstream) -> NoneType
Writes a pose to a given stream in PDB file format, optionally
appending a given string and optionally extracting scores from the pose.
This came out of the 2016 Chemical XRW. It's an attempt to preserve
some stuff that jd2 was doing before, while centralizing all PDB generation in
one place.
The pose to turn into a PDB.
Additional data to append to the PDB file data.
Grab additional score data from the pose?
Grab still more score data from the pose?
The output stream that the PDB file data will be written to.
(Optional) String for the filename. Will be included in the score data table if provided.
Vikram K. Mulligan (vmullig.edu).
2. dump_pdb(pose : rosetta.core.pose.Pose, extra_data : str, add_score_data : bool, add_extra_score_data : bool, out : utility::io::ozstream, filename : str) -> NoneType
Writes a pose to a given stream in PDB file format, optionally
appending a given string and optionally extracting scores from the pose.
This came out of the 2016 Chemical XRW. It's an attempt to preserve
some stuff that jd2 was doing before, while centralizing all PDB generation in
one place.
The pose to turn into a PDB.
Additional data to append to the PDB file data.
Grab additional score data from the pose?
Grab still more score data from the pose?
The output stream that the PDB file data will be written to.
(Optional) String for the filename. Will be included in the score data table if provided.
Vikram K. Mulligan (vmullig.edu).
3. dump_pdb(pose : rosetta.core.pose.Pose, extra_data : str, add_score_data : bool, add_extra_score_data : bool, out : utility::io::ozstream, filename : str, options : rosetta.core.io.StructFileRepOptions) -> NoneType
Writes a pose to a given stream in PDB file format, optionally
appending a given string and optionally extracting scores from the pose.
This came out of the 2016 Chemical XRW. It's an attempt to preserve
some stuff that jd2 was doing before, while centralizing all PDB generation in
one place.
The pose to turn into a PDB.
Additional data to append to the PDB file data.
Grab additional score data from the pose?
Grab still more score data from the pose?
The output stream that the PDB file data will be written to.
(Optional) String for the filename. Will be included in the score data table if provided.
Vikram K. Mulligan (vmullig.edu).
4. dump_pdb(pose : rosetta.core.pose.Pose, extra_data : str, add_score_data : bool, add_extra_score_data : bool, out : str) -> NoneType
Writes a pose to a given string in PDB file format, optionally
appending a given string and optionally extracting scores from the pose.
This came out of the 2016 Chemical XRW. It's an attempt to preserve
some stuff that jd2 was doing before, while centralizing all PDB generation in
one place.
The pose to turn into a PDB.
Additional data to append to the PDB file data.
Grab additional score data from the pose?
Grab still more score data from the pose?
The output string that the PDB file data will be written to.
(Optional) String for the filename. Will be included in the score data table if provided.
Vikram K. Mulligan (vmullig.edu).
5. dump_pdb(pose : rosetta.core.pose.Pose, extra_data : str, add_score_data : bool, add_extra_score_data : bool, out : str, filename : str) -> NoneType
Writes a pose to a given string in PDB file format, optionally
appending a given string and optionally extracting scores from the pose.
This came out of the 2016 Chemical XRW. It's an attempt to preserve
some stuff that jd2 was doing before, while centralizing all PDB generation in
one place.
The pose to turn into a PDB.
Additional data to append to the PDB file data.
Grab additional score data from the pose?
Grab still more score data from the pose?
The output string that the PDB file data will be written to.
(Optional) String for the filename. Will be included in the score data table if provided.
Vikram K. Mulligan (vmullig.edu).
6. dump_pdb(pose : rosetta.core.pose.Pose, extra_data : str, add_score_data : bool, add_extra_score_data : bool, out : str, filename : str, options : rosetta.core.io.StructFileRepOptions) -> NoneType
Writes a pose to a given string in PDB file format, optionally
appending a given string and optionally extracting scores from the pose.
This came out of the 2016 Chemical XRW. It's an attempt to preserve
some stuff that jd2 was doing before, while centralizing all PDB generation in
one place.
The pose to turn into a PDB.
Additional data to append to the PDB file data.
Grab additional score data from the pose?
Grab still more score data from the pose?
The output string that the PDB file data will be written to.
(Optional) String for the filename. Will be included in the score data table if provided.
Vikram K. Mulligan (vmullig.edu).
7. dump_pdb(pose : rosetta.core.pose.Pose, file_name : str) -> bool
Writes <pose> to a PDB file, returning false if an error occurs.
8. dump_pdb(pose : rosetta.core.pose.Pose, file_name : str, tag : str) -> bool
Writes <pose> to a PDB file, returning false if an error occurs.
9. dump_pdb(pose : rosetta.core.pose.Pose, file_name : str, tag : str, write_fold_tree : bool) -> bool
Writes <pose> to a PDB file, returning false if an error occurs.
10. dump_pdb(pose : rosetta.core.pose.Pose, file_name : str, tag : str, write_fold_tree : bool, options : rosetta.core.io.StructFileRepOptions) -> bool
Writes <pose> to a PDB file, returns false if an error occurs
- store_base_residue_type_name_in_sfr(...) method of builtins.PyCapsule instance
- store_base_residue_type_name_in_sfr(hetID : str, text_field : str, sfr : rosetta.core.io.StructFileRep) -> NoneType
Parse .pdb HETNAM text field to extract full resID and convert into SFR data.
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