| |
- builtins.object
-
- MiniPose
- PDBInfo
- PDBPoseMap
- Pose
- PoseCoordPickMode
- ResidueIndexDescription
-
- ResidueIndexDescriptionFromFile
- UnrecognizedAtomRecord
- rosetta.numeric.geometry.hashing.xyzStripeHash(builtins.object)
-
- xyzStripeHashPose
class MiniPose(builtins.object) |
|
not quite (silent_structs don't necessarily have xyz). Kind of like a Conformation but without the
overtree of an atom_tree.
Should save memory compared to keeping the full pose (which includes atom_tree, energies etc.)
This is a bit like the SilentStruct -- although that class
has gotten a bit complicated -- easier to start from scratch. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.core.pose.MiniPose, pose : rosetta.core.pose.Pose) -> NoneType
2. __init__(self : rosetta.core.pose.MiniPose, coords : rosetta.utility.vector1_utility_vector1_numeric_xyzVector_double_std_allocator_numeric_xyzVector_double_t, fold_tree : rosetta.core.kinematics.FoldTree, sequence : str) -> NoneType
3. __init__(self : rosetta.core.pose.MiniPose, : rosetta.core.pose.MiniPose) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.MiniPose, : rosetta.core.pose.MiniPose) -> rosetta.core.pose.MiniPose
- atom_name(...) from builtins.PyCapsule
- atom_name(self : rosetta.core.pose.MiniPose, atom_id : rosetta.core.id.AtomID) -> str
- atom_names_list(...) from builtins.PyCapsule
- atom_names_list(rosetta.core.pose.MiniPose) -> rosetta.utility.vector1_utility_vector1_std_string_std_allocator_std_string_t
- coords(...) from builtins.PyCapsule
- coords(rosetta.core.pose.MiniPose) -> rosetta.utility.vector1_utility_vector1_numeric_xyzVector_double_std_allocator_numeric_xyzVector_double_t
- fold_tree(...) from builtins.PyCapsule
- fold_tree(rosetta.core.pose.MiniPose) -> rosetta.core.kinematics.FoldTree
- sequence(...) from builtins.PyCapsule
- sequence(rosetta.core.pose.MiniPose) -> str
- size(...) from builtins.PyCapsule
- size(rosetta.core.pose.MiniPose) -> int
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pose.MiniPose) -> int
- variant_types(...) from builtins.PyCapsule
- variant_types(self : rosetta.core.pose.MiniPose, seq_num : int) -> rosetta.utility.vector1_std_string
- variant_types_list(...) from builtins.PyCapsule
- variant_types_list(rosetta.core.pose.MiniPose) -> rosetta.utility.vector1_utility_vector1_std_string_std_allocator_std_string_t
- xyz(...) from builtins.PyCapsule
- xyz(self : rosetta.core.pose.MiniPose, atom_id : rosetta.core.id.AtomID) -> rosetta.numeric.xyzVector_double_t
|
class PDBInfo(builtins.object) |
|
maintains pdb residue & atom information inside a Pose
Upon creation of new residue records, e.g. when calling the
constructors without 'init' or appending/prepending residues, the
chain id for the new records will be set to a character, currently
'^', denoting "empty record". This character may be looked up by
calling the static method PDBInfo::empty_record().
Class implementation is biased towards simplicity and fast lookup.
Residue/atom information are kept in vectors. An internally maintained
PDBPoseMap provides mapping from pdb -> pose residue numbering. This
causes residue mutators to be a bit more expensive due to map updates,
but this is ok because they are typically called sparingly. Accessors
and mutators have overloaded method convention, while special mutators
use .set_* convention. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pose.PDBInfo) -> NoneType
2. __init__(self : rosetta.core.pose.PDBInfo, n : int) -> NoneType
3. __init__(rosetta.core.pose.PDBInfo, rosetta.core.pose.Pose) -> NoneType
doc
4. __init__(self : rosetta.core.pose.PDBInfo, pose : rosetta.core.pose.Pose, init : bool) -> NoneType
5. __init__(self : rosetta.core.pose.PDBInfo, info : rosetta.core.pose.PDBInfo) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pose.PDBInfo) -> str
- add_reslabel(...) from builtins.PyCapsule
- add_reslabel(self : rosetta.core.pose.PDBInfo, res : int, label : str) -> NoneType
adds a label associated to a pose resid.
residue in pose numbering
string that is the "label"
- add_unrecognized_atoms(...) from builtins.PyCapsule
- add_unrecognized_atoms(self : rosetta.core.pose.PDBInfo, UAs : rosetta.utility.vector1_core_pose_UnrecognizedAtomRecord) -> NoneType
remembers info about atoms not read into the pose
- alt_loc(...) from builtins.PyCapsule
- alt_loc(*args, **kwargs)
Overloaded function.
1. alt_loc(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int) -> str
Returns the alternate location for the <atom_index> atom of pose
residue <res>
example(s):
pose.pdb_info().alt_loc(1,1)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. alt_loc(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int, loc : str) -> NoneType
Sets the alternate location of the <atom_index> atom of pose
residue <res> to <loc>
: <loc> is an alternate location character
- append_res(...) from builtins.PyCapsule
- append_res(*args, **kwargs)
Overloaded function.
1. append_res(self : rosetta.core.pose.PDBInfo, res : int, natoms : int) -> NoneType
Appends residue records given a pose residue number <res>
residue to append after (in internal/pose numbering)
number of atoms in type of appended residue
number of residue records to append
2. append_res(self : rosetta.core.pose.PDBInfo, res : int, natoms : int, n : int) -> NoneType
Appends residue records given a pose residue number <res>
residue to append after (in internal/pose numbering)
number of atoms in type of appended residue
number of residue records to append
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.PDBInfo, info : rosetta.core.pose.PDBInfo) -> rosetta.core.pose.PDBInfo
copy assignment
- attach_to(...) from builtins.PyCapsule
- attach_to(self : rosetta.core.pose.PDBInfo, conf : rosetta.core.conformation.Conformation) -> NoneType
Attaches the Conformation <conf> and begins observation
example(s):
See also:
Pose
PDBInfo
- bfactor(...) from builtins.PyCapsule
- bfactor(*args, **kwargs)
Overloaded function.
1. bfactor(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int) -> float
Returns the temperature for the <atom_index> atom of pose residue <res>
example(s):
pose.pdb_info().temperature(1,1)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. bfactor(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int, t : float) -> NoneType
Sets the temperature of the <atom_index> atom of pose residue
<res> to <t>
- chain(...) from builtins.PyCapsule
- chain(*args, **kwargs)
Overloaded function.
1. chain(self : rosetta.core.pose.PDBInfo, res : int) -> str
Returns the chain id for pose residue <res>
example(s):
pose.pdb_info().chain(3)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. chain(self : rosetta.core.pose.PDBInfo, res : int, chain_id : str) -> NoneType
Sets the chain id of pose residue <res> to <chain_id>
chain id should not be the empty record character, currently '^'
Returns the pdb insertion code of residue <res>
example(s):
pose.pdb_info().chain(3,"R")
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
- clear_reslabel(...) from builtins.PyCapsule
- clear_reslabel(self : rosetta.core.pose.PDBInfo, res : int) -> NoneType
clean all the label(s) associated to a pose resid.
residue in pose numbering
- copy(...) from builtins.PyCapsule
- copy(self : rosetta.core.pose.PDBInfo, input_info : rosetta.core.pose.PDBInfo, copy_from : int, copy_to : int, start_from : int) -> NoneType
Copyies a section from PDBInfo <input_info>
the PDBInfo to copy from
the first residue position in input_info to copy
the final residue position in input_info to copy
the first residue position in this PDBInfo to
copy into
- crystinfo(...) from builtins.PyCapsule
- crystinfo(rosetta.core.pose.PDBInfo) -> rosetta.core.io.CrystInfo
Returns the pdb crystinfo
- delete_res(...) from builtins.PyCapsule
- delete_res(*args, **kwargs)
Overloaded function.
1. delete_res(self : rosetta.core.pose.PDBInfo, res : int) -> NoneType
Deletes <n> residue records starting from pose residue <res>
residue to start deleting from (in internal/pose numbering)
number of residue records to delete
2. delete_res(self : rosetta.core.pose.PDBInfo, res : int, n : int) -> NoneType
Deletes <n> residue records starting from pose residue <res>
residue to start deleting from (in internal/pose numbering)
number of residue records to delete
- detach_from(...) from builtins.PyCapsule
- detach_from(rosetta.core.pose.PDBInfo) -> NoneType
Detaches the Conformation and stops observation
takes no arguments because PDBInfo can only observe one
Conformation at a time
example(s):
pose.pdb_info().detach_from()
See also:
Pose
PDBInfo
- empty_record(...) from builtins.PyCapsule
- empty_record() -> str
Returns the chain id character specifying "empty record",
currently '^'
- get_num_unrecognized_atoms(...) from builtins.PyCapsule
- get_num_unrecognized_atoms(rosetta.core.pose.PDBInfo) -> int
- get_num_unrecognized_res(...) from builtins.PyCapsule
- get_num_unrecognized_res(rosetta.core.pose.PDBInfo) -> int
- get_reslabels(...) from builtins.PyCapsule
- get_reslabels(self : rosetta.core.pose.PDBInfo, res : int) -> rosetta.utility.vector1_std_string
returns the pose(number) labels associated to the residue
residue in pose numbering
- get_unrecognized_atoms(...) from builtins.PyCapsule
- get_unrecognized_atoms(rosetta.core.pose.PDBInfo) -> rosetta.utility.vector1_core_pose_UnrecognizedAtomRecord
remembers info about atoms not read into the pose
- get_unrecognized_res_name(...) from builtins.PyCapsule
- get_unrecognized_res_name(self : rosetta.core.pose.PDBInfo, i : int) -> str
- get_unrecognized_res_size(...) from builtins.PyCapsule
- get_unrecognized_res_size(self : rosetta.core.pose.PDBInfo, i : int) -> int
- header_information(...) from builtins.PyCapsule
- header_information(*args, **kwargs)
Overloaded function.
1. header_information(self : rosetta.core.pose.PDBInfo, header_information : rosetta.core.io.HeaderInformation) -> NoneType
Note: The header information is only initialized if it is needed.
Generally this requires using the -run:preserve_header options flag.
2. header_information(rosetta.core.pose.PDBInfo) -> rosetta.core.io.HeaderInformation
3. header_information(rosetta.core.pose.PDBInfo) -> rosetta.core.io.HeaderInformation
- icode(...) from builtins.PyCapsule
- icode(*args, **kwargs)
Overloaded function.
1. icode(self : rosetta.core.pose.PDBInfo, res : int) -> str
Returns the pdb insertion code of residue <res>
example(s):
pose.pdb_info().icode(3)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. icode(self : rosetta.core.pose.PDBInfo, res : int, ins_code : str) -> NoneType
Sets the insertion code of pose residue <res> to _code>
Returns the pdb insertion code of residue <res>
example(s):
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
- is_het(...) from builtins.PyCapsule
- is_het(*args, **kwargs)
Overloaded function.
1. is_het(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int) -> bool
Returns true if the <atom_index> atom of pose residue <res>
is a heteratom
: atom index within instance of core::conformation::Residue,
currently Rosetta's pdb file output treats the value of .is_het() as an
override -- if this is set to true, the record will be hetatm, otherwise it
will decide by Residue type (the usual default)
2. is_het(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int, flag : bool) -> NoneType
Sets the heteroatom flag of the <atom_index> atom of pose
residue <res> to <flag>
currently Rosetta's pdb file output treats the value of .is_het() as an
override -- if this is set to true, the record will be hetatm, otherwise it
will decide by Residue type (the usual default)
- is_observing(...) from builtins.PyCapsule
- is_observing(rosetta.core.pose.PDBInfo) -> rosetta.std.weak_ptr_const_core_conformation_Conformation_t
Returns the Conformation if this PDBInfo is currently observing
a conformation, otherwise return NULL
example(s):
pose.pdb_info().is_observing()
See also:
Pose
PDBInfo
- modeltag(...) from builtins.PyCapsule
- modeltag(*args, **kwargs)
Overloaded function.
1. modeltag(rosetta.core.pose.PDBInfo) -> str
Returns the model tag for a multi-model pdb
example(s):
pose.pdb_info().modeltag()
See also:
Pose
PDBInfo
2. modeltag(self : rosetta.core.pose.PDBInfo, tag : str) -> NoneType
Sets the model tag for a multi-model pdb to <tag>
example(s):
pose.pdb_info().modeltag('Number1')
See also:
Pose
PDBInfo
- name(...) from builtins.PyCapsule
- name(*args, **kwargs)
Overloaded function.
1. name(rosetta.core.pose.PDBInfo) -> str
Returns the pdb name
example(s):
pose.pdb_info().name()
See also:
Pose
PDBInfo
2. name(self : rosetta.core.pose.PDBInfo, s : str) -> NoneType
Sets the pdb name
example(s):
pose.pdb_info().name('MyPDB')
See also:
Pose
PDBInfo
- natoms(...) from builtins.PyCapsule
- natoms(self : rosetta.core.pose.PDBInfo, res : int) -> int
Returns the number of atoms represented for the residue <res>
: residue <res> must be in pose numbering
example(s):
pose.pdb_info().natoms(3)
See also:
Pose
PDBInfo
- nres(...) from builtins.PyCapsule
- nres(rosetta.core.pose.PDBInfo) -> int
Returns the number of residues represented in PDBInfo
example(s):
pose.pdb_info().nres()
See also:
Pose
PDBInfo
- number(...) from builtins.PyCapsule
- number(*args, **kwargs)
Overloaded function.
1. number(self : rosetta.core.pose.PDBInfo, res : int) -> int
Returns the pdb sequence number of pose residue <res>
example(s):
pose.pdb_info().number(3)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. number(self : rosetta.core.pose.PDBInfo, res : int, pdb_res : int) -> NoneType
Sets the pdb sequence residue number of pose residue <res> to <pdb_res>
Returns the pdb insertion code of residue <res>
example(s):
pose.pdb_info().number(3,81)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
- obsolete(...) from builtins.PyCapsule
- obsolete(*args, **kwargs)
Overloaded function.
1. obsolete(rosetta.core.pose.PDBInfo) -> bool
Returns true if PDBInfo is obsolete and needs updating
This flag is currently not used within the class and
is provided for user convenience. Setting this will
forcibly turn off pdb numbering when dumping pdbs.
example(s):
pose.pdb_info().obsolete()
See also:
Pose
PDBInfo
2. obsolete(self : rosetta.core.pose.PDBInfo, flag : bool) -> NoneType
Sets the obsolete state to <flag>
this flag is currently not used within the class and
is provided for user convenience. Setting this will
forcibly turn off pdb numbering when dumping pdbs.
- occupancy(...) from builtins.PyCapsule
- occupancy(*args, **kwargs)
Overloaded function.
1. occupancy(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int) -> float
Returns the occupancy for the <atom_index> atom of pose residue <res>
example(s):
pose.pdb_info().occupancy(1,1)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. occupancy(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int, occ : float) -> NoneType
Sets the occupancy of the <atom_index> atom of pose residue
<res> to <occ>
- on_connection_change(...) from builtins.PyCapsule
- on_connection_change(self : rosetta.core.pose.PDBInfo, event : rosetta.core.conformation.signals.ConnectionEvent) -> NoneType
Updates when connection to Conformation is changed
- on_identity_change(...) from builtins.PyCapsule
- on_identity_change(self : rosetta.core.pose.PDBInfo, event : rosetta.core.conformation.signals.IdentityEvent) -> NoneType
Updates atom records when residue identity changes in Conformation
- on_length_change(...) from builtins.PyCapsule
- on_length_change(self : rosetta.core.pose.PDBInfo, event : rosetta.core.conformation.signals.LengthEvent) -> NoneType
Updates residue and atom records when length changes in Conformation,
obsoletes PDBInfo
- pdb2pose(...) from builtins.PyCapsule
- pdb2pose(*args, **kwargs)
Overloaded function.
1. pdb2pose(self : rosetta.core.pose.PDBInfo, chain : str, res : int) -> int
Returns the pose numbering of the pdb residue with chain <chain>,
pdb residue <res>, and insertion code <icode>
: <icode> is not required, returns 0 if not found,
pose numbering is sequential ie. starts at 1 and goes up
pdb numbering can be anything
example(s):
pose.pdb_info().pdb2pose("B",5)
See also:
Pose
PDBInfo
PDBInfo.pose2pdb
2. pdb2pose(self : rosetta.core.pose.PDBInfo, chain : str, res : int, icode : str) -> int
Returns the pose numbering of the pdb residue with chain <chain>,
pdb residue <res>, and insertion code <icode>
: <icode> is not required, returns 0 if not found,
pose numbering is sequential ie. starts at 1 and goes up
pdb numbering can be anything
example(s):
pose.pdb_info().pdb2pose("B",5)
See also:
Pose
PDBInfo
PDBInfo.pose2pdb
3. pdb2pose(rosetta.core.pose.PDBInfo) -> rosetta.core.pose.PDBPoseMap
Returns the internally maintained PDBPoseMap
example(s):
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
- pose2pdb(...) from builtins.PyCapsule
- pose2pdb(self : rosetta.core.pose.PDBInfo, res : int) -> str
Returns the pdb numbering string of pose residue <res>
: pdb string contains the chainID and number
pose numbering is sequential ie. starts at 1 and goes up
pdb numbering can be anything
example(s):
pose.pdb_info().pose2pdb(25)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
- prepend_res(...) from builtins.PyCapsule
- prepend_res(*args, **kwargs)
Overloaded function.
1. prepend_res(self : rosetta.core.pose.PDBInfo, res : int, natoms : int) -> NoneType
Prepends residue records before given pose residue number <res>
residue to prepend before (in internal/pose numbering)
number of atoms in type of appended residue
number of residue records to prepend
2. prepend_res(self : rosetta.core.pose.PDBInfo, res : int, natoms : int, n : int) -> NoneType
Prepends residue records before given pose residue number <res>
residue to prepend before (in internal/pose numbering)
number of atoms in type of appended residue
number of residue records to prepend
- rebuild_pdb2pose(...) from builtins.PyCapsule
- rebuild_pdb2pose(rosetta.core.pose.PDBInfo) -> NoneType
rebuilds PDBPoseMap from scratch
- remarks(...) from builtins.PyCapsule
- remarks(*args, **kwargs)
Overloaded function.
1. remarks(rosetta.core.pose.PDBInfo) -> rosetta.core.io.Remarks
Returns the pdb remarks (const)
example(s):
pose.pdb_info().remarks()
See also:
Pose
PDBInfo
2. remarks(rosetta.core.pose.PDBInfo) -> rosetta.core.io.Remarks
Returns the pdb remarks (mutable)
we allow direct access to the remarks vector because its
state is independent of the rest of PDBInfo and it's much more
convenient for the user
example(s):
pose.pdb_info().remarks()
See also:
Pose
PDBInfo
3. remarks(self : rosetta.core.pose.PDBInfo, in : rosetta.core.io.Remarks) -> NoneType
Sets the pdb remarks to <in>
example(s):
See also:
Pose
PDBInfo
- replace_res(...) from builtins.PyCapsule
- replace_res(self : rosetta.core.pose.PDBInfo, res : int, natoms : int) -> NoneType
"Replaces" residue record for pose residue <res>
Leaves information in residue record untouched, but resizes
and zeroes atom records for the residue.
residue to replace
number of atoms in type of residue
- replace_res_remap_bfactors(...) from builtins.PyCapsule
- replace_res_remap_bfactors(self : rosetta.core.pose.PDBInfo, res : int, tgt : rosetta.core.conformation.Residue) -> NoneType
same as replace_res BUT remaps B factors from src to tgt
- res_haslabel(...) from builtins.PyCapsule
- res_haslabel(self : rosetta.core.pose.PDBInfo, res : int, target_label : str) -> bool
uses std iterators to check if a residue has a label associated to it
residue in pose numbering
string to look for inside the labes associated to the residue
- resize_atom_records(...) from builtins.PyCapsule
- resize_atom_records(*args, **kwargs)
Overloaded function.
1. resize_atom_records(self : rosetta.core.pose.PDBInfo, res : int, n : int) -> NoneType
Ensures <n> atom records for residue <res> are available
: if <zero> is true, zero the atom records for this residue
2. resize_atom_records(self : rosetta.core.pose.PDBInfo, res : int, n : int, zero : bool) -> NoneType
Ensures <n> atom records for residue <res> are available
: if <zero> is true, zero the atom records for this residue
3. resize_atom_records(self : rosetta.core.pose.PDBInfo, n : int) -> NoneType
Ensures <n> atom records for residue <res> are available
: if <zero> is true, zero the atom records for this residue
4. resize_atom_records(self : rosetta.core.pose.PDBInfo, n : int, zero : bool) -> NoneType
Ensures <n> atom records for residue <res> are available
: if <zero> is true, zero the atom records for this residue
5. resize_atom_records(self : rosetta.core.pose.PDBInfo, pose : rosetta.core.pose.Pose) -> NoneType
Updates the number of atom records with respect to atoms in <pose>
Number of internally available atom records will be adjusted
to match number of atoms within each residue in Pose. Only newly
created records will be zeroed, any existing records are untouched.
- resize_residue_records(...) from builtins.PyCapsule
- resize_residue_records(self : rosetta.core.pose.PDBInfo, n : int) -> NoneType
Resizes for <n> residue records
Leaves atom record state inconsistent. Atom records for
remaining residues are untouched while new residues have no atom
records, so make sure and call one of resize_atom_records()
afterwards if necessary.
Do not use this method for ins/del of residues, as it leaves
the data state inconsistent. See append_res/prepend_res/delete_res
for that type of functionality.
- segmentID(...) from builtins.PyCapsule
- segmentID(*args, **kwargs)
Overloaded function.
1. segmentID(self : rosetta.core.pose.PDBInfo, res : int) -> str
2. segmentID(self : rosetta.core.pose.PDBInfo, res : int, segmentID : str) -> NoneType
Sets the insertion code of pose residue <res> to _code>
Returns the pdb insertion code of residue <res>
example(s):
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
- set_chains(...) from builtins.PyCapsule
- set_chains(self : rosetta.core.pose.PDBInfo, id : str) -> NoneType
Sets all residue chain ids to the character <id>
- set_crystinfo(...) from builtins.PyCapsule
- set_crystinfo(self : rosetta.core.pose.PDBInfo, crystinfoin : rosetta.core.io.CrystInfo) -> NoneType
Sets the pdb crystinfo
- set_resinfo(...) from builtins.PyCapsule
- set_resinfo(*args, **kwargs)
Overloaded function.
1. set_resinfo(self : rosetta.core.pose.PDBInfo, res : int, chain_id : str, pdb_res : int) -> NoneType
Sets the chain id, pdb sequence residue numbering, and insertion
code for pose residue <res> to <chain_id> , <pdb_res> , and
_code> respectfully
: convenience method; more efficient than doing each individually
due to map updates
Returns the pdb insertion code of residue <res>
example(s):
pose.pdb_info().icode(3)
See also:
Pose
PDBInfo
PDBInfo.chain
PDBInfo.icode
PDBInfo.number
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. set_resinfo(self : rosetta.core.pose.PDBInfo, res : int, chain_id : str, pdb_res : int, ins_code : str) -> NoneType
Sets the chain id, pdb sequence residue numbering, and insertion
code for pose residue <res> to <chain_id> , <pdb_res> , and
_code> respectfully
: convenience method; more efficient than doing each individually
due to map updates
Returns the pdb insertion code of residue <res>
example(s):
pose.pdb_info().icode(3)
See also:
Pose
PDBInfo
PDBInfo.chain
PDBInfo.icode
PDBInfo.number
PDBInfo.pdb2pose
PDBInfo.pose2pdb
- temperature(...) from builtins.PyCapsule
- temperature(*args, **kwargs)
Overloaded function.
1. temperature(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int) -> float
Returns the temperature for the <atom_index> atom of pose residue <res>
example(s):
pose.pdb_info().temperature(1,1)
See also:
Pose
PDBInfo
PDBInfo.pdb2pose
PDBInfo.pose2pdb
2. temperature(self : rosetta.core.pose.PDBInfo, res : int, atom_index : int, t : float) -> NoneType
Sets the temperature of the <atom_index> atom of pose residue
<res> to <t>
- tighten_memory(...) from builtins.PyCapsule
- tighten_memory(rosetta.core.pose.PDBInfo) -> NoneType
Tightens memory usage
|
class PDBPoseMap(builtins.object) |
|
PDBPoseMap can be queried with PDB information (chain, sequence position)
and returns a pose's resid position. Useful for handing input/output in terms
of PDB positions. Can be tucked into the pose for repeated access, or generated
just-in-time for a single use. Basically a wrapper class for std::map. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pose.PDBPoseMap) -> NoneType
2. __init__(self : rosetta.core.pose.PDBPoseMap, info : core::pose::PDBInfo) -> NoneType
3. __init__(self : rosetta.core.pose.PDBPoseMap, map : rosetta.core.pose.PDBPoseMap) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.PDBPoseMap, m : rosetta.core.pose.PDBPoseMap) -> rosetta.core.pose.PDBPoseMap
copy assignment
- clear(...) from builtins.PyCapsule
- clear(rosetta.core.pose.PDBPoseMap) -> NoneType
clear the current mapping data
- conditional_erase(...) from builtins.PyCapsule
- conditional_erase(self : rosetta.core.pose.PDBPoseMap, chain : str, pdb_res : int, ins_code : str, pose_res : int) -> bool
remove mapping for pdb residue key only if Pose residue matches
chain id
pdb residue numbering
insertion code, use ' ' if no insertion code
the mapped Pose residue
true if key-value pair erase, false otherwise
- erase(...) from builtins.PyCapsule
- erase(self : rosetta.core.pose.PDBPoseMap, chain : str, pdb_res : int, ins_code : str) -> NoneType
forcibly remove mapping for pdb residue key
chain id
pdb residue numbering
insertion code, use ' ' if no insertion code
- fill(...) from builtins.PyCapsule
- fill(self : rosetta.core.pose.PDBPoseMap, info : core::pose::PDBInfo) -> NoneType
fill with corresponding pdb -> pose residue mapping
does not clear any currently existing mapping data
- find(...) from builtins.PyCapsule
- find(*args, **kwargs)
Overloaded function.
1. find(self : rosetta.core.pose.PDBPoseMap, chain : str, pdb_res : int) -> int
lookup pose numbering
chain id
pdb residue numbering
insertion code
pose numbering for residue, returns 0 if not found
2. find(self : rosetta.core.pose.PDBPoseMap, chain : str, pdb_res : int, ins_code : str) -> int
lookup pose numbering
chain id
pdb residue numbering
insertion code
pose numbering for residue, returns 0 if not found
- insert(...) from builtins.PyCapsule
- insert(self : rosetta.core.pose.PDBPoseMap, chain : str, pdb_res : int, ins_code : str, pose_res : int) -> NoneType
insert pdb -> pose number mapping
chain id
pdb residue numbering
insertion code, use ' ' if no insertion code
pose numbering for residue
if the chain is equal to the PDBInfo's empty record character,
the insertion will be skipped
- size(...) from builtins.PyCapsule
- size(rosetta.core.pose.PDBPoseMap) -> int
number of mappings
|
class Pose(builtins.object) |
|
The Pose class represents a molecular system (protein-dna-ligand...)
as a container of Rosetta Residue objects together with
a Conformation object that defines how internal coordinate changes
propagate through the system and an Energies object that stores
information from the last energy evaluation.
The main responsibilities of the pose are:
Kinematic:
(a) to update the xyz coordinates in response to changes to internal
degrees of freedom, and
(b) to update internal coordinates when the user modifes the xyz
(Cartesian) coords,
Scoring:
(a) to keep track of what parts of the structure have changed since
the last score evaluation, and
(b) to cache residue and residue-pair energies for efficient re-use
As a container:
The pose provides a single object for passing
a molecular system and for copying of entire molecules
or stretches of molecules from one Pose object into another.
Output Methods:
Common Methods:
Pose.assign
Pose.atom_tree
Pose.conformation
Pose.dump_pdb
Pose.dump_cif
Pose.dump_file
Pose.energies
Pose.fold_tree
Pose.pdb_info
Pose.residue
Pose.sequence
Pose.total_residue |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pose.Pose) -> NoneType
2. __init__(self : rosetta.core.pose.Pose, src : rosetta.core.pose.Pose) -> NoneType
3. __init__(self : rosetta.core.pose.Pose, src : rosetta.core.pose.Pose, residue_begin : int, residue_end : int) -> NoneType
- __iter__ = _Pose_residue_iterator(obj)
- ###############################################################################
# Modifications to Rosetta.
# Add iter property to Pose.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pose.Pose) -> str
- aa(...) from builtins.PyCapsule
- aa(self : rosetta.core.pose.Pose, seqpos : int) -> rosetta.core.chemical.AA
Returns the chemical::AA of the residue at <seqpos>
example(s):
pose.aa(17)
See also:
Pose
Pose.Residue
Pose.sequence
Residue
- add_constraint(...) from builtins.PyCapsule
- add_constraint(self : rosetta.core.pose.Pose, cst : core::scoring::constraints::Constraint) -> core::scoring::constraints::Constraint
adding a constraint is done by cloning the input constraint. A const copy is then returned
- add_constraints(...) from builtins.PyCapsule
- add_constraints(self : rosetta.core.pose.Pose, csts : rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t) -> rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t
- alpha(...) from builtins.PyCapsule
- alpha(self : rosetta.core.pose.Pose, pos : int) -> float
Returns the alpha torsion angle of residue <seqpos>
assumes the residue is an nucleic acid
example(s):
pose.alpha(1)
See also:
Pose
Pose.residue
Pose.set_alpha
Residue
- annotated_sequence(...) from builtins.PyCapsule
- annotated_sequence(*args, **kwargs)
Overloaded function.
1. annotated_sequence(rosetta.core.pose.Pose) -> str
Returns the variant-tagged string representing the
residue types that make up a conformation; e.g.
M[MET:N-Terminus-Variant]CDH[HIS_D]LLR[ARG:C-Terminus-Variant]
example(s):
pose.annotated_sequence()
See also:
Pose
Pose.sequence
Pose.total_residue
Residue
2. annotated_sequence(self : rosetta.core.pose.Pose, show_all_variants : bool) -> str
Returns the variant-tagged string representing the
residue types that make up a conformation; e.g.
M[MET:N-Terminus-Variant]CDH[HIS_D]LLR[ARG:C-Terminus-Variant]
example(s):
pose.annotated_sequence()
See also:
Pose
Pose.sequence
Pose.total_residue
Residue
- append_polymer_residue_after_seqpos(...) from builtins.PyCapsule
- append_polymer_residue_after_seqpos(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, seqpos : int, build_ideal_geometry : bool) -> NoneType
glues to seqpos and perhaps also seqpos+1
- append_pose_by_jump(...) from builtins.PyCapsule
- append_pose_by_jump(*args, **kwargs)
Overloaded function.
1. append_pose_by_jump(self : rosetta.core.pose.Pose, src : rosetta.core.pose.Pose, jump_anchor_residue : int) -> NoneType
Appends source pose conformation to pose by a new jump
2. append_pose_by_jump(self : rosetta.core.pose.Pose, src : rosetta.core.pose.Pose, jump_anchor_residue : int, jump_anchor_atom : str) -> NoneType
Appends source pose conformation to pose by a new jump
3. append_pose_by_jump(self : rosetta.core.pose.Pose, src : rosetta.core.pose.Pose, jump_anchor_residue : int, jump_anchor_atom : str, jump_root_atom : str) -> NoneType
Appends source pose conformation to pose by a new jump
- append_residue_by_atoms(...) from builtins.PyCapsule
- append_residue_by_atoms(*args, **kwargs)
Overloaded function.
1. append_residue_by_atoms(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connect_atom : str, anchor_rsd_seqpos : int, anchor_connect_atom : str) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond to a given atom
This function effectively wraps append_residue_by_bond for an easier syntax. Instead
of having to know what the connection, anchor residue, and anchor connection are, we give the
atoms and query the ResidueType for the remaining information.
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
2. append_residue_by_atoms(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connect_atom : str, anchor_rsd_seqpos : int, anchor_connect_atom : str, start_new_chain : bool) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond to a given atom
This function effectively wraps append_residue_by_bond for an easier syntax. Instead
of having to know what the connection, anchor residue, and anchor connection are, we give the
atoms and query the ResidueType for the remaining information.
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
3. append_residue_by_atoms(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connect_atom : str, anchor_rsd_seqpos : int, anchor_connect_atom : str, start_new_chain : bool, lookup_bond_length : bool) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond to a given atom
This function effectively wraps append_residue_by_bond for an easier syntax. Instead
of having to know what the connection, anchor residue, and anchor connection are, we give the
atoms and query the ResidueType for the remaining information.
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
- append_residue_by_bond(...) from builtins.PyCapsule
- append_residue_by_bond(*args, **kwargs)
Overloaded function.
1. append_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond
The default behavior is to append by a polymeric connection to the preceding residue
If we want to connect via a non-polymer connection, we give the connection number, anchor residue
and the connection number for the anchor residue. These connection numbers are wrt the connections_
arrays in Residue and ResidueType
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
2. append_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond
The default behavior is to append by a polymeric connection to the preceding residue
If we want to connect via a non-polymer connection, we give the connection number, anchor residue
and the connection number for the anchor residue. These connection numbers are wrt the connections_
arrays in Residue and ResidueType
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
3. append_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connection : int) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond
The default behavior is to append by a polymeric connection to the preceding residue
If we want to connect via a non-polymer connection, we give the connection number, anchor residue
and the connection number for the anchor residue. These connection numbers are wrt the connections_
arrays in Residue and ResidueType
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
4. append_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connection : int, anchor_residue : int) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond
The default behavior is to append by a polymeric connection to the preceding residue
If we want to connect via a non-polymer connection, we give the connection number, anchor residue
and the connection number for the anchor residue. These connection numbers are wrt the connections_
arrays in Residue and ResidueType
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
5. append_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connection : int, anchor_residue : int, anchor_connection : int) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond
The default behavior is to append by a polymeric connection to the preceding residue
If we want to connect via a non-polymer connection, we give the connection number, anchor residue
and the connection number for the anchor residue. These connection numbers are wrt the connections_
arrays in Residue and ResidueType
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
6. append_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connection : int, anchor_residue : int, anchor_connection : int, start_new_chain : bool) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond
The default behavior is to append by a polymeric connection to the preceding residue
If we want to connect via a non-polymer connection, we give the connection number, anchor residue
and the connection number for the anchor residue. These connection numbers are wrt the connections_
arrays in Residue and ResidueType
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
7. append_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, build_ideal_geometry : bool, connection : int, anchor_residue : int, anchor_connection : int, start_new_chain : bool, lookup_bond_length : bool) -> NoneType
Appends <new_rsd> (a residue) to pose by a new bond
The default behavior is to append by a polymeric connection to the preceding residue
If we want to connect via a non-polymer connection, we give the connection number, anchor residue
and the connection number for the anchor residue. These connection numbers are wrt the connections_
arrays in Residue and ResidueType
If build_ideal_bond is TRUE it will transform the coordinates of the new residue so that the bond
geometry of the new bond is ideal according to the icoor_internal data in the residues.
Otherwise the incoming coordinates of new_rsd are preserved.
- append_residue_by_jump(...) from builtins.PyCapsule
- append_residue_by_jump(*args, **kwargs)
Overloaded function.
1. append_residue_by_jump(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, jump_anchor_residue : int) -> NoneType
Appends <new_rsd> (a residue) to pose by a new jump
2. append_residue_by_jump(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, jump_anchor_residue : int, jump_anchor_atom : str) -> NoneType
Appends <new_rsd> (a residue) to pose by a new jump
3. append_residue_by_jump(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, jump_anchor_residue : int, jump_anchor_atom : str, jump_root_atom : str) -> NoneType
Appends <new_rsd> (a residue) to pose by a new jump
4. append_residue_by_jump(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, jump_anchor_residue : int, jump_anchor_atom : str, jump_root_atom : str, start_new_chain : bool) -> NoneType
Appends <new_rsd> (a residue) to pose by a new jump
- apply_transform_Rx_plus_v(...) from builtins.PyCapsule
- apply_transform_Rx_plus_v(self : rosetta.core.pose.Pose, R : rosetta.numeric.xyzMatrix_double_t, v : rosetta.numeric.xyzVector_double_t) -> NoneType
Apply a transform of the Rx + v form, where R is a
rotation matrix and v is a translation vector.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.Pose, src : rosetta.core.pose.Pose) -> rosetta.core.pose.Pose
Copies <src> into the pose where it remains possible that two
Poses may point to each other in non-const ways or share non-bitwise
constant data between them (E.g. the AtomTree observer system).
example(s):
test_pose.assign(pose)
See also:
Pose
- atom_tree(...) from builtins.PyCapsule
- atom_tree(rosetta.core.pose.Pose) -> core::kinematics::AtomTree
Returns the pose AtomTree
- batch_get_xyz(...) from builtins.PyCapsule
- batch_get_xyz(self : rosetta.core.pose.Pose, ids : rosetta.utility.vector1_core_id_AtomID, points : rosetta.utility.vector1_numeric_xyzVector_double_t) -> NoneType
Gets the locations (xyz) of pose AtomIDs in <ids>
- batch_set_xyz(...) from builtins.PyCapsule
- batch_set_xyz(self : rosetta.core.pose.Pose, ids : rosetta.utility.vector1_core_id_AtomID, points : rosetta.utility.vector1_numeric_xyzVector_double_t) -> NoneType
Sets the locations (xyz) of pose AtomIDs in <ids>
to mathcing PointPositions in <points>
- beta(...) from builtins.PyCapsule
- beta(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the beta torsion angle of residue <seqpos>
assumes the residue is an nucleic acid
example(s):
pose.beta(2)
See also:
Pose
Pose.residue
Pose.set_beta
Residue
- center(...) from builtins.PyCapsule
- center(rosetta.core.pose.Pose) -> NoneType
Sets pose coordinates such that the pose center is at the Euclidean origin
- chain(...) from builtins.PyCapsule
- chain(self : rosetta.core.pose.Pose, seqpos : int) -> int
Returns the chain number of residue <seqpos>
example(s):
pose.chain(3)
See also:
Pose
Pose.annotated_sequence
Pose.chain_sequence
Pose.fold_tree
Pose.sequence
FoldTree
- chain_sequence(...) from builtins.PyCapsule
- chain_sequence(self : rosetta.core.pose.Pose, chain_in : int) -> str
Returns the sequence for the chain <chain_in>
Example(s):
pose.chain_sequence(1)
See also:
Pose
Pose.chain
Pose.residue
Pose.sequence
- chi(...) from builtins.PyCapsule
- chi(*args, **kwargs)
Overloaded function.
1. chi(self : rosetta.core.pose.Pose, chino : int, seqpos : int) -> float
Returns the <chino> chi torsion angle of residue <seqpos>
assumes the residue is an amino acid or monosaccharide
example(s):
pose.chi(1,7)
See also:
Pose
Pose.set_chi
Pose.residue
Residue
2. chi(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the chi torsion angle of residue <seqpos>
assumes the residue is an nucleic acid
example(s):
pose.chi(7)
See also:
Pose
Pose.residue
Pose.set_chi
Residue
- clear(...) from builtins.PyCapsule
- clear(rosetta.core.pose.Pose) -> NoneType
Empty the pose contents
example(s):
pose.clear()
See also:
Pose
Pose.assign
Pose.empty
- clear_sequence_constraints(...) from builtins.PyCapsule
- clear_sequence_constraints(rosetta.core.pose.Pose) -> NoneType
Remove all sequence constraints from this pose.
- clone(...) from builtins.PyCapsule
- clone(rosetta.core.pose.Pose) -> rosetta.core.pose.Pose
clone the conformation
- conformation(...) from builtins.PyCapsule
- conformation(*args, **kwargs)
Overloaded function.
1. conformation(rosetta.core.pose.Pose) -> rosetta.core.conformation.Conformation
Returns the pose Conformation (const-access)
example(s):
pose.Conformation()
See also:
Pose
Conformation
2. conformation(rosetta.core.pose.Pose) -> rosetta.core.conformation.Conformation
Returns the pose Conformation (non-const access)
- conformation_ptr(...) from builtins.PyCapsule
- conformation_ptr(*args, **kwargs)
Overloaded function.
1. conformation_ptr(rosetta.core.pose.Pose) -> rosetta.core.conformation.Conformation
Returns the pose Conformation pointer (const access)
2. conformation_ptr(rosetta.core.pose.Pose) -> rosetta.core.conformation.Conformation
Returns the pose Conformation pointer (const access)
WHOA: This is not cool. The Pose cannot hand out access to the OP directly. Do not use.
- const_data_cache(...) from builtins.PyCapsule
- const_data_cache(rosetta.core.pose.Pose) -> rosetta.basic.datacache.ConstDataMap
Read access to the const data cache
- constraint_set(...) from builtins.PyCapsule
- constraint_set(*args, **kwargs)
Overloaded function.
1. constraint_set(rosetta.core.pose.Pose) -> core::scoring::constraints::ConstraintSet
2. constraint_set(self : rosetta.core.pose.Pose, : core::scoring::constraints::ConstraintSet) -> NoneType
- copy_segment(...) from builtins.PyCapsule
- copy_segment(self : rosetta.core.pose.Pose, size : int, src : rosetta.core.pose.Pose, begin : int, src_begin : int) -> NoneType
Copy a stretch of coordinates/torsions from <src>
to pose
- corresponding_residue_in_current(...) from builtins.PyCapsule
- corresponding_residue_in_current(self : rosetta.core.pose.Pose, ref_residue_index : int, ref_pose_name : str) -> int
Returns the index of a residue in this pose corresponding to a residue in a reference pose.
Throws an error if the reference pose with the given name doesn't exist, or the residue number
doesn't exist in that reference pose. Returns zero if no corresponding residue exists in this pose (e.g.
if the residue in question has been deleted.
- data(...) from builtins.PyCapsule
- data(*args, **kwargs)
Overloaded function.
1. data(rosetta.core.pose.Pose) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pose/datacache/CacheableDataType.hh
2. data(rosetta.core.pose.Pose) -> rosetta.basic.datacache.BasicDataCache
BasicDataCache indexed by enum in core/pose/datacache/CacheableDataType.hh
- decrement_reference_pose_mapping_after_seqpos(...) from builtins.PyCapsule
- decrement_reference_pose_mapping_after_seqpos(self : rosetta.core.pose.Pose, seqpos : int) -> NoneType
Find all mappings in the new pose after seqpos in all ReferencePose objects, and decrement them by 1.
If there is no ReferencePose object, do nothing.
- delete_polymer_residue(...) from builtins.PyCapsule
- delete_polymer_residue(self : rosetta.core.pose.Pose, seqpos : int) -> NoneType
Delete a residue in the pose.
Update Observers.
Update any Reference Poses
- delete_residue_range_slow(...) from builtins.PyCapsule
- delete_residue_range_slow(self : rosetta.core.pose.Pose, start : int, end : int) -> NoneType
Delete a range of residues in the pose.
Calls confromation::delete_residue_range_slow().
Update Observers.
Update any Reference Poses
- delete_residue_slow(...) from builtins.PyCapsule
- delete_residue_slow(self : rosetta.core.pose.Pose, seqpos : int) -> NoneType
Slow method that relies on FoldTree::delete_seqpos, rebuilds atomtree, can handle jumps/root residue.
Update Observers.
Update any Reference Poses
- delta(...) from builtins.PyCapsule
- delta(self : rosetta.core.pose.Pose, pos : int) -> float
Returns the delta torsion angle of residue <seqpos>
assumes the residue is an nucleic acid
example(s):
pose.delta(4)
See also:
Pose
Pose.residue
Pose.set_delta
Residue
- detached_copy(...) from builtins.PyCapsule
- detached_copy(self : rosetta.core.pose.Pose, src : rosetta.core.pose.Pose) -> NoneType
Performs a deep copy of the src Pose into this Pose in a way
that guarantees that no non-bitwise-constant data is shared between
them (such as the AtomTree's observer system) -- this Pose will be
effectively detached from any data that lives in other objects.
- dof(...) from builtins.PyCapsule
- dof(self : rosetta.core.pose.Pose, id : rosetta.core.id.DOF_ID) -> float
Returns the value of the AtomTree DOF <id>
See also:
Pose
DOF_ID
- dump_cif(...) from builtins.PyCapsule
- dump_cif(self : rosetta.core.pose.Pose, file_name : str) -> NoneType
Export pose data to the mmCIF file <file_name>
example(s):
pose.dump_cif('new_01.cif')
See also:
Pose
pose_from_cif
dump_file
- dump_file(...) from builtins.PyCapsule
- dump_file(self : rosetta.core.pose.Pose, file_name : str) -> NoneType
Export pose data to a file, <file_name>, determining which type of file format to write based on the file extension
example(s):
pose.dump_file('new_01.pdb')
pose.dump_file('new_01.cif')
See also:
Pose
dump_cif
dump_file
- dump_pdb(...) from builtins.PyCapsule
- dump_pdb(*args, **kwargs)
Overloaded function.
1. dump_pdb(self : rosetta.core.pose.Pose, file_name : str) -> bool
Export pose data to the PDB file <file_name>
example(s):
pose.dump_pdb('new_01.pdb')
See also:
Pose
pose_from_pdb
dump_cif
dump_file
2. dump_pdb(self : rosetta.core.pose.Pose, file_name : str, tag : str) -> bool
Export pose data to the PDB file <file_name>
example(s):
pose.dump_pdb('new_01.pdb')
See also:
Pose
pose_from_pdb
dump_cif
dump_file
- dump_scored_pdb(...) from builtins.PyCapsule
- dump_scored_pdb(*args, **kwargs)
Overloaded function.
1. dump_scored_pdb(self : rosetta.core.pose.Pose, file_name : str, scorefxn : core::scoring::ScoreFunction) -> NoneType
Export pose data to the PDB file <file_name>,
add some score output
2. dump_scored_pdb(self : rosetta.core.pose.Pose, file_name : str, scorefxn : core::scoring::ScoreFunction, tag : str) -> NoneType
Export pose data to the PDB file <file_name>,
add some score output
- empty(...) from builtins.PyCapsule
- empty(rosetta.core.pose.Pose) -> bool
Returns true if there are no residues in the conformation
example(s):
pose.empty()
See also:
Pose
Pose.clear
Pose.sequence
Pose.total_residue
- energies(...) from builtins.PyCapsule
- energies(*args, **kwargs)
Overloaded function.
1. energies(rosetta.core.pose.Pose) -> core::scoring::Energies
////////////////////////////////////////
Returns the pose Energies (const-access)
example(s):
pose.energies()
See also:
Pose
Energies
PDBInfo
ScoreFunction
create_score_function
2. energies(rosetta.core.pose.Pose) -> core::scoring::Energies
Returns the pose Energies (non-const access)
- epsilon(...) from builtins.PyCapsule
- epsilon(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the epsilon torsion angle of residue <seqpos>
assumes the residue is an nucleic acid
example(s):
pose.epsilon(5)
See also:
Pose
Pose.residue
Pose.set_epsilon
Residue
- fold_tree(...) from builtins.PyCapsule
- fold_tree(*args, **kwargs)
Overloaded function.
1. fold_tree(rosetta.core.pose.Pose) -> rosetta.core.kinematics.FoldTree
Returns the pose FoldTree
example(s):
pose.fold_tree()
See also:
Pose
FoldTree
2. fold_tree(self : rosetta.core.pose.Pose, fold_tree_in : rosetta.core.kinematics.FoldTree) -> NoneType
Sets the pose FoldTree to <fold_tree_in>
example(s):
pose.fold_tree( foldtree )
See also:
Pose
pose.fold_tree
FoldTree
- gamma(...) from builtins.PyCapsule
- gamma(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the gamma torsion angle of residue <seqpos>
assumes the residue is an nucleic acid
example(s):
pose.gamma(3)
See also:
Pose
Pose.residue
Pose.set_gamma
Residue
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.core.pose.Pose) -> rosetta.core.pose.Pose
self pointers
2. get_self_ptr(rosetta.core.pose.Pose) -> rosetta.core.pose.Pose
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.core.pose.Pose) -> rosetta.std.weak_ptr_const_core_pose_Pose_t
2. get_self_weak_ptr(rosetta.core.pose.Pose) -> rosetta.std.weak_ptr_core_pose_Pose_t
- has_dof(...) from builtins.PyCapsule
- has_dof(self : rosetta.core.pose.Pose, id : rosetta.core.id.DOF_ID) -> bool
Returns true if pose has DOF <id>
See also:
Pose
DOF_ID
- has_reference_pose(...) from builtins.PyCapsule
- has_reference_pose(rosetta.core.pose.Pose) -> bool
Returns true if a pose has at least one reference pose, false otherwise.
- increment_reference_pose_mapping_after_seqpos(...) from builtins.PyCapsule
- increment_reference_pose_mapping_after_seqpos(self : rosetta.core.pose.Pose, seqpos : int) -> NoneType
Find all mappings in the new pose after seqpos in all ReferencePose objects, and increment them by 1.
If there is no ReferencePose object, do nothing.
- insert_residue_by_bond(...) from builtins.PyCapsule
- insert_residue_by_bond(*args, **kwargs)
Overloaded function.
1. insert_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
2. insert_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int, build_ideal_geometry : bool) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
3. insert_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int, build_ideal_geometry : bool, anchor_atom : str) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
4. insert_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int, build_ideal_geometry : bool, anchor_atom : str, root_atom : str) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
5. insert_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int, build_ideal_geometry : bool, anchor_atom : str, root_atom : str, new_chain : bool) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
6. insert_residue_by_bond(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int, build_ideal_geometry : bool, anchor_atom : str, root_atom : str, new_chain : bool, lookup_bond_length : bool) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
- insert_residue_by_jump(...) from builtins.PyCapsule
- insert_residue_by_jump(*args, **kwargs)
Overloaded function.
1. insert_residue_by_jump(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
2. insert_residue_by_jump(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int, anchor_atomno : str) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
3. insert_residue_by_jump(self : rosetta.core.pose.Pose, new_rsd_in : rosetta.core.conformation.Residue, seqpos : int, anchor_pos : int, anchor_atomno : str, root_atomno : str) -> NoneType
This code sorely belongs in Pose.cc
Adds <new_rsd_in> to pose at <seqpos>
- is_centroid(...) from builtins.PyCapsule
- is_centroid(rosetta.core.pose.Pose) -> bool
Returns true if pose is ResidueType centroid
convenience test for residue_type_set ( based on two
middle residue -- to avoid hitting on ligands or pseudos )
example(s):
pose.is_centroid()
See also:
Pose
Pose.is_fullatom
Residue
ResidueType
this is nt a good test --Doug
- is_fullatom(...) from builtins.PyCapsule
- is_fullatom(rosetta.core.pose.Pose) -> bool
Returns true if pose is ResidueType fullatom
convenience test for residue_type_set ( based on two
middle residue -- to avoid hitting on ligands or pseudos )
example(s):
pose.is_fullatom()
See also:
Pose
Pose.is_centroid
Residue
ResidueType
this is nt a good test --Doug
- jump(...) from builtins.PyCapsule
- jump(*args, **kwargs)
Overloaded function.
1. jump(self : rosetta.core.pose.Pose, jump_number : int) -> rosetta.core.kinematics.Jump
Returns the pose FoldTree Jump <jump_number>
example(s):
pose.jump(1)
See also:
Pose
Pose.fold_tree
Pose.set_jump
FoldTree
FoldTree.jump_edge
Jump
2. jump(self : rosetta.core.pose.Pose, id : rosetta.core.id.AtomID) -> rosetta.core.kinematics.Jump
Returns the pose FoldTree Jump <id>
example(s):
pose.set_jump(R5N)
See also:
Pose
Pose.fold_tree
Pose.set_jump
FoldTree
FoldTree.jump_edge
AtomID
- metric(...) from builtins.PyCapsule
- metric(self : rosetta.core.pose.Pose, calculator_name : str, key : str, val : rosetta.basic.MetricValueBase) -> NoneType
- n_residue(...) from builtins.PyCapsule
- n_residue(rosetta.core.pose.Pose) -> int
Returns the number of residues in the pose conformation
example(s):
pose.n_residue()
See also:
Pose
Pose.sequence
Pose.total_residue
- num_jump(...) from builtins.PyCapsule
- num_jump(rosetta.core.pose.Pose) -> int
Returns the number of jumps in the pose FoldTree
example(s):
pose.num_jump()
See also:
Pose
Pose.jump
Pose.set_jump
FoldTree
Jump
- observer_cache(...) from builtins.PyCapsule
- observer_cache(*args, **kwargs)
Overloaded function.
1. observer_cache(rosetta.core.pose.Pose) -> core::pose::datacache::ObserverCache
ObserverCache indexed by enum in core/pose/datacache/CacheableObserverType.hh
2. observer_cache(rosetta.core.pose.Pose) -> core::pose::datacache::ObserverCache
ObserverCache indexed by enum in core/pose/datacache/CacheableObserverType.hh
- omega(...) from builtins.PyCapsule
- omega(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the omega torsion angle of residue <seqpos>
assumes the residue is an amino acid or monosaccharide
example(s):
pose.omega(3)
See also:
Pose
Pose.residue
Pose.set_omega
Residue
- pdb_info(...) from builtins.PyCapsule
- pdb_info(*args, **kwargs)
Overloaded function.
1. pdb_info(rosetta.core.pose.Pose) -> core::pose::PDBInfo
Returns the pose PDBInfo (const)
example(s):
pose.pdb_info()
See also:
Pose
Energies
PDBInfo
ScoreFunction
pose_from_pdb
NULL if no PDBInfo instance exists, the pdb info instance otherwise
2. pdb_info(rosetta.core.pose.Pose) -> core::pose::PDBInfo
Returns the pose PDBInfo
NULL if no PDBInfo instance exists, the PDBInfo instance otherwise
3. pdb_info(self : rosetta.core.pose.Pose, new_info : core::pose::PDBInfo) -> core::pose::PDBInfo
Sets pose PDBInfo to <new_info>
the new PDBInfo to copy, pass NULL
if you want to zero the existence of PDBInfo inside this Pose
the prior PDBInfo instance
- phi(...) from builtins.PyCapsule
- phi(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the phi torsion angle of residue <seqpos>
assumes the residue is an amino acid or monosaccharide
example(s):
pose.phi(1)
See also:
Pose
Pose.residue
Pose.set_phi
Residue
- prepend_polymer_residue_before_seqpos(...) from builtins.PyCapsule
- prepend_polymer_residue_before_seqpos(self : rosetta.core.pose.Pose, new_rsd : rosetta.core.conformation.Residue, seqpos : int, build_ideal_geometry : bool) -> NoneType
glues to seqpos and perhaps also seqpos-1
- print_metric(...) from builtins.PyCapsule
- print_metric(self : rosetta.core.pose.Pose, calculator_name : str, key : str) -> str
- psi(...) from builtins.PyCapsule
- psi(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the psi torsion angle of residue <seqpos>
Note: assumes the residue is an amino acid or monosaccharide
example(s):
pose.psi(2)
See also:
Pose
Pose.residue
Pose.set_psi
Residue
- reference_pose_from_current(...) from builtins.PyCapsule
- reference_pose_from_current(*args, **kwargs)
Overloaded function.
1. reference_pose_from_current(self : rosetta.core.pose.Pose, ref_pose_name : str) -> NoneType
Create a new reference pose from the current state of the pose.
If a ReferencePoseSet object does not exist, this function will create it.
If override_current is set to true, will override any currently set reference pose with the ref_pose_name.
2. reference_pose_from_current(self : rosetta.core.pose.Pose, ref_pose_name : str, override_current : bool) -> NoneType
Create a new reference pose from the current state of the pose.
If a ReferencePoseSet object does not exist, this function will create it.
If override_current is set to true, will override any currently set reference pose with the ref_pose_name.
- reference_pose_set(...) from builtins.PyCapsule
- reference_pose_set(rosetta.core.pose.Pose) -> core::pose::reference_pose::ReferencePoseSet
Access the ReferencePoseSet object (non-const).
If a ReferencePoseSet object does not exist, this function will create it.
- reference_pose_set_cop(...) from builtins.PyCapsule
- reference_pose_set_cop(rosetta.core.pose.Pose) -> core::pose::reference_pose::ReferencePoseSet
Const-access the ReferencePoseSet object.
If a ReferencePoseSet object does not exist, this function will throw an error.
- remove_constraint(...) from builtins.PyCapsule
- remove_constraint(*args, **kwargs)
Overloaded function.
1. remove_constraint(self : rosetta.core.pose.Pose, cst : core::scoring::constraints::Constraint) -> bool
re object_comparison see comment for ConstraintSet::remove_constraint function
2. remove_constraint(self : rosetta.core.pose.Pose, cst : core::scoring::constraints::Constraint, object_comparison : bool) -> bool
re object_comparison see comment for ConstraintSet::remove_constraint function
- remove_constraints(...) from builtins.PyCapsule
- remove_constraints(*args, **kwargs)
Overloaded function.
1. remove_constraints(self : rosetta.core.pose.Pose, csts : rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t) -> bool
re object_comparison see comment for ConstraintSet::remove_constraint function
2. remove_constraints(self : rosetta.core.pose.Pose, csts : rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t, object_comparison : bool) -> bool
re object_comparison see comment for ConstraintSet::remove_constraint function
3. remove_constraints(rosetta.core.pose.Pose) -> bool
- replace_residue(...) from builtins.PyCapsule
- replace_residue(*args, **kwargs)
Overloaded function.
1. replace_residue(self : rosetta.core.pose.Pose, seqpos : int, new_rsd_in : rosetta.core.conformation.Residue, orient_backbone : bool) -> NoneType
Replaces the residue at <seqpos> with <new_rsd_in>
2. replace_residue(self : rosetta.core.pose.Pose, seqpos : int, new_rsd_in : rosetta.core.conformation.Residue, atom_pairs : rosetta.utility.vector1_std_pair_std_string_std_string_t) -> NoneType
Replaces the residue at <seqpos> with <new_rsd>
based on superposition on the specified input atom pairs
NOTE: at the moment, only superposition on 3 atoms works
This code sorely belongs in Pose.cc
- residue(...) from builtins.PyCapsule
- residue(self : rosetta.core.pose.Pose, seqpos : int) -> rosetta.core.conformation.Residue
Returns the Residue at position <seqpos> (read access)
Note: this method will trigger a refold if either the
torsions or the coordinates are out-of-date
example(s):
pose.residue(4)
See also:
Pose
Pose.sequence
Pose.total_residue
Residue
ResidueType
- residue_type(...) from builtins.PyCapsule
- residue_type(self : rosetta.core.pose.Pose, seqpos : int) -> rosetta.core.chemical.ResidueType
Returns the ResidueType at position <seqpos> (read access)
Note: this method NOT will trigger a refold if either
the torsions or the coordinates are out-of-date
example(s):
pose.residue_type(5)
See also:
Pose
Pose.residue
Pose.sequence
Pose.total_residue
Residue
ResidueType
- scoring_begin(...) from builtins.PyCapsule
- scoring_begin(self : rosetta.core.pose.Pose, info : core::scoring::ScoreFunction) -> NoneType
Called by ScoreFunction at the beginning of scoring
- scoring_end(...) from builtins.PyCapsule
- scoring_end(self : rosetta.core.pose.Pose, scorefxn : core::scoring::ScoreFunction) -> NoneType
Called by ScoreFunction at the end of scoring
- secstruct(...) from builtins.PyCapsule
- secstruct(*args, **kwargs)
Overloaded function.
1. secstruct(self : rosetta.core.pose.Pose, seqpos : int) -> str
Returns the secondary structure of residue <seqpos>
this usually comes from fragments. The conformation object
will not invoke DSSP to determine the secondary structure
if e.g. it has not been made from fragments.
'H' = helical
'S' = strand or sheet
'E' = loop
JKL: is this correct? DsspDesignOperations says that
H = helix, E = strand, and L = loop
example(s):
pose.secstruct(3)
See also:
Pose
Pose.residue
Pose.set_secstruct
Residue
2. secstruct(rosetta.core.pose.Pose) -> str
Returns a string representing pose secondary structure
example(s):
pose.secstruct()
See also:
Pose
Pose.residue
Pose.set_secstruct
Residue
- sequence(...) from builtins.PyCapsule
- sequence(*args, **kwargs)
Overloaded function.
1. sequence(rosetta.core.pose.Pose) -> str
Returns a string representing the 1-letter-coded sequence of the pose conformation.
example(s):
pose.sequence()
See also:
Pose
Pose.annotated_sequence
Pose.chain
Pose.chain_sequence
Pose.residue
Pose.total_residue
2. sequence(self : rosetta.core.pose.Pose, resnum_start : int, resnum_end : int) -> str
Returns a string representing the 1-letter-coded sequence of the pose conformation. From start to end.
example(s):
pose.sequence()
See also:
Pose
Pose.annotated_sequence
Pose.chain
Pose.chain_sequence
Pose.residue
Pose.total_residue
- set_alpha(...) from builtins.PyCapsule
- set_alpha(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the alpha torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an nucleic acid
example(s):
pose.set_alpha(1)
See also:
Pose
Pose.alpha
Pose.residue
Residue
- set_beta(...) from builtins.PyCapsule
- set_beta(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the beta torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an nucleic acid
example(s):
pose.set_beta(2)
See also:
Pose
Pose.beta
Pose.residue
Residue
- set_chi(...) from builtins.PyCapsule
- set_chi(*args, **kwargs)
Overloaded function.
1. set_chi(self : rosetta.core.pose.Pose, chino : int, seqpos : int, setting : float) -> NoneType
Sets the <chino> chi torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an amino acid or monosaccharide
example(s):
pose.set_chi(1,7,120)
See also:
Pose
Pose.chi
Pose.residue
Residue
2. set_chi(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the chi torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an nucleic acid
example(s):
pose.set_chi(7)
See also:
Pose
Pose.chi
Pose.residue
Residue
- set_delta(...) from builtins.PyCapsule
- set_delta(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the delta torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an nucleic acid
example(s):
pose.set_delta(4)
See also:
Pose
Pose.delta
Pose.residue
Residue
- set_dof(...) from builtins.PyCapsule
- set_dof(self : rosetta.core.pose.Pose, id : rosetta.core.id.DOF_ID, setting : float) -> NoneType
Sets the value of the AtomTree DOF <id>
See also:
Pose
DOF_ID
- set_epsilon(...) from builtins.PyCapsule
- set_epsilon(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the epsilon torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an nucleic acid
example(s):
pose.set_epsilon(5)
See also:
Pose
Pose.epsilon
Pose.residue
Residue
- set_gamma(...) from builtins.PyCapsule
- set_gamma(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the gamma torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an nucleic acid
example(s):
pose.set_gamma(3)
See also:
Pose
Pose.gamma
Pose.residue
Residue
- set_jump(...) from builtins.PyCapsule
- set_jump(*args, **kwargs)
Overloaded function.
1. set_jump(self : rosetta.core.pose.Pose, jump_number : int, new_jump : rosetta.core.kinematics.Jump) -> NoneType
Sets the pose FoldTree Jump <jump_number> to <new_jump>
example(s):
pose.set_jump(1,jump1)
See also:
Pose
Pose.fold_tree
Pose.jump
FoldTree
FoldTree.jump_edge
Jump
2. set_jump(self : rosetta.core.pose.Pose, id : rosetta.core.id.AtomID, new_jump : rosetta.core.kinematics.Jump) -> NoneType
Sets the pose FoldTree Jump <id> to <new_jump>
example(s):
pose.set_jump(1,jump1)
See also:
Pose
Pose.fold_tree
Pose.jump
FoldTree
FoldTree.jump_edge
AtomID
- set_new_conformation(...) from builtins.PyCapsule
- set_new_conformation(self : rosetta.core.pose.Pose, new_conformation : rosetta.core.conformation.Conformation) -> NoneType
Now that the conformation_ member data is an owning pointer,
and we have derived classes of Conformation.
- set_new_energies_object(...) from builtins.PyCapsule
- set_new_energies_object(self : rosetta.core.pose.Pose, energies : core::scoring::Energies) -> NoneType
Now that the energies_ member data is an owning pointer,
and we have derived classes of Energies.
- set_omega(...) from builtins.PyCapsule
- set_omega(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the omega torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an amino acid or monosaccharide
example(s):
pose.set_omega(3, 180.0)
See also:
Pose
Pose.omega
Pose.residue
Residue
- set_phi(...) from builtins.PyCapsule
- set_phi(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the phi torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an amino acid or monosaccharide
example(s):
pose.set_phi(1, -23.7)
See also:
Pose
Pose.phi
Pose.residue
Residue
- set_psi(...) from builtins.PyCapsule
- set_psi(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the psi torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an amino acid or monosaccharide
example(s):
pose.set_psi(2, 45.3)
See also:
Pose
Pose.psi
Pose.residue
Residue
- set_ring_conformation(...) from builtins.PyCapsule
- set_ring_conformation(self : rosetta.core.pose.Pose, seqpos : int, ring_num : int, conformer : rosetta.core.chemical.rings.RingConformer) -> NoneType
Set the given residue and ring's ring conformation, if appropriate.
- set_secstruct(...) from builtins.PyCapsule
- set_secstruct(self : rosetta.core.pose.Pose, seqpos : int, setting : str) -> NoneType
Assign the secondary structure of residue <seqpos> to <setting>
example(s):
pose.set_secstruct(3,'H')
See also:
Pose
Pose.residue
Pose.secstruct
Residue
- set_theta(...) from builtins.PyCapsule
- set_theta(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the theta torsion angle of beta-amino acid residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is a beta-amino acid.
example(s):
pose.set_theta(21, 58.9)
See also:
Pose
Pose.theta
Pose.residue
Residue
Vikram K. Mulligan (vmullig.edu)
- set_torsion(...) from builtins.PyCapsule
- set_torsion(self : rosetta.core.pose.Pose, id : core::id::TorsionID, setting : float) -> NoneType
Sets the Conformation torsion angle identified
by <id> to <setting>
See also:
Pose
TorsionID
- set_xyz(...) from builtins.PyCapsule
- set_xyz(*args, **kwargs)
Overloaded function.
1. set_xyz(self : rosetta.core.pose.Pose, id : rosetta.core.id.AtomID, point : rosetta.numeric.xyzVector_double_t) -> NoneType
Sets the location (xyz) of pose AtomID <id> to
the PointPosition <point>
See also:
Pose
Pose.residue
Pose.xyz
Residue
2. set_xyz(self : rosetta.core.pose.Pose, id : rosetta.core.id.NamedAtomID, point : rosetta.numeric.xyzVector_double_t) -> NoneType
Sets the location (xyz) of pose NamedAtomID <id>
to the PointPosition <point>
See also:
Pose
Pose.residue
Pose.xyz
Residue
- set_zeta(...) from builtins.PyCapsule
- set_zeta(self : rosetta.core.pose.Pose, seqpos : int, setting : float) -> NoneType
Sets the zeta torsion angle of residue <seqpos> to <setting>
<setting> must be in degrees, assumes residue is an nucleic acid
example(s):
pose.set_zeta(6)
See also:
Pose
Pose.zeta
Pose.residue
Residue
- split_by_chain(...) from builtins.PyCapsule
- split_by_chain(*args, **kwargs)
Overloaded function.
1. split_by_chain(rosetta.core.pose.Pose) -> rosetta.utility.vector1_std_shared_ptr_core_pose_Pose_t
Returns a vector of poses with one element per chain of the original pose
2. split_by_chain(self : rosetta.core.pose.Pose, chain_id : int) -> rosetta.core.pose.Pose
- stub_from_id(...) from builtins.PyCapsule
- stub_from_id(self : rosetta.core.pose.Pose, id : core::id::NamedStubID) -> rosetta.core.kinematics.Stub
- theta(...) from builtins.PyCapsule
- theta(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the theta torsion angle of beta-amino acid residue <seqpos>
assumes residue is a beta-amino acid.
example(s):
pose.theta(21)
See also:
Pose
Pose.set_theta
Pose.residue
Residue
Vikram K. Mulligan (vmullig.edu)
- torsion(...) from builtins.PyCapsule
- torsion(self : rosetta.core.pose.Pose, id : core::id::TorsionID) -> float
Returns the Conformation torsion angle identified by <id>
See also:
Pose
TorsionID
- total_atoms(...) from builtins.PyCapsule
- total_atoms(*args, **kwargs)
Overloaded function.
1. total_atoms(rosetta.core.pose.Pose) -> int
Returns the total number of atoms in the pose conformation
example:
pose.total_atoms()
2. total_atoms(self : rosetta.core.pose.Pose, nres : int) -> int
Returns the total number of atoms in the pose
up to a particular residue
- total_residue(...) from builtins.PyCapsule
- total_residue(rosetta.core.pose.Pose) -> int
Returns the number of residues in the pose conformation
example(s):
pose.total_residue()
See also:
Pose
Pose.n_residue
Pose.sequence
- transfer_constraint_set(...) from builtins.PyCapsule
- transfer_constraint_set(self : rosetta.core.pose.Pose, pose : rosetta.core.pose.Pose) -> NoneType
- update_actcoord(...) from builtins.PyCapsule
- update_actcoord(self : rosetta.core.pose.Pose, resid : int) -> NoneType
Updates the action coordinates for pose residue <resid>
- update_actcoords(...) from builtins.PyCapsule
- update_actcoords(rosetta.core.pose.Pose) -> NoneType
Called by PairEPotential to update the action coordinates for all residues
- update_orbital_coords(...) from builtins.PyCapsule
- update_orbital_coords(self : rosetta.core.pose.Pose, resid : int) -> NoneType
- update_pose_chains_from_pdb_chains(...) from builtins.PyCapsule
- update_pose_chains_from_pdb_chains(rosetta.core.pose.Pose) -> NoneType
Updates the pose chain IDs to match the pdb chain IDs.
- update_residue_neighbors(...) from builtins.PyCapsule
- update_residue_neighbors(rosetta.core.pose.Pose) -> NoneType
Updates neighbor links in the pose Energies object
- xyz(...) from builtins.PyCapsule
- xyz(*args, **kwargs)
Overloaded function.
1. xyz(self : rosetta.core.pose.Pose, id : rosetta.core.id.AtomID) -> rosetta.numeric.xyzVector_double_t
Returns the location (xyz) of pose AtomID <id>
example(s):
atom = AtomID(1,1)
pose.xyz(atom)
See also:
Pose
Pose.residue
AtomID
Residue
Residue.xyz
2. xyz(self : rosetta.core.pose.Pose, id : rosetta.core.id.NamedAtomID) -> rosetta.numeric.xyzVector_double_t
Returns the location (xyz) of pose NamedAtomID <id>
Tutorial soon...
See also:
Pose
Pose.residue
NamedAtomID
Residue
Residue.xyz
- zero_reference_pose_mapping_at_seqpos(...) from builtins.PyCapsule
- zero_reference_pose_mapping_at_seqpos(self : rosetta.core.pose.Pose, seqpos : int) -> NoneType
Find all mappings in the new pose to seqpos in all ReferencePose objects, and set them to point to residue 0 (deletion signal).
If there is no ReferencePose object, do nothing.
- zeta(...) from builtins.PyCapsule
- zeta(self : rosetta.core.pose.Pose, seqpos : int) -> float
Returns the zeta torsion angle of residue <seqpos>
assumes the residue is an nucleic acid
example(s):
pose.zeta(6)
See also:
Pose
Pose.residue
Pose.set_zeta
Residue
|
class PoseCoordPickMode(builtins.object) |
| |
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(rosetta.core.pose.PoseCoordPickMode, rosetta.core.pose.PoseCoordPickMode) -> bool
- __hash__(...) from builtins.PyCapsule
- __hash__(rosetta.core.pose.PoseCoordPickMode) -> int
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pose.PoseCoordPickMode, int) -> NoneType
2. __init__(rosetta.core.pose.PoseCoordPickMode, int) -> NoneType
- __int__(...) from builtins.PyCapsule
- __int__(rosetta.core.pose.PoseCoordPickMode) -> int
- __ne__(...) from builtins.PyCapsule
- __ne__(rosetta.core.pose.PoseCoordPickMode, rosetta.core.pose.PoseCoordPickMode) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __repr__(...) from builtins.PyCapsule
- __repr__(rosetta.core.pose.PoseCoordPickMode) -> str
Data and other attributes defined here:
- PoseCoordPickMode_ALL = PoseCoordPickMode.PoseCoordPickMode_ALL
- PoseCoordPickMode_BB = PoseCoordPickMode.PoseCoordPickMode_BB
- PoseCoordPickMode_BNP = PoseCoordPickMode.PoseCoordPickMode_BNP
- PoseCoordPickMode_CA = PoseCoordPickMode.PoseCoordPickMode_CA
- PoseCoordPickMode_CB = PoseCoordPickMode.PoseCoordPickMode_CB
- PoseCoordPickMode_CB_else_CA = PoseCoordPickMode.PoseCoordPickMode_CB_else_CA
- PoseCoordPickMode_CBorCA = PoseCoordPickMode.PoseCoordPickMode_CBorCA
- PoseCoordPickMode_HVY = PoseCoordPickMode.PoseCoordPickMode_HVY
- PoseCoordPickMode_HVY_IF_NP = PoseCoordPickMode.PoseCoordPickMode_HVY_IF_NP
- PoseCoordPickMode_NBR = PoseCoordPickMode.PoseCoordPickMode_NBR
- PoseCoordPickMode_NUL = PoseCoordPickMode.PoseCoordPickMode_NUL
- PoseCoordPickMode_N_CA_C = PoseCoordPickMode.PoseCoordPickMode_N_CA_C
- PoseCoordPickMode_N_CA_C_CB = PoseCoordPickMode.PoseCoordPickMode_N_CA_C_CB
- PoseCoordPickMode_N_C_O = PoseCoordPickMode.PoseCoordPickMode_N_C_O
|
class ResidueIndexDescription(builtins.object) |
|
a class which can represent one of many ways in which to describe a
particular residue in a pose, and can, when given a pose, find its index.
The object should be constructed with all its needed parameters, but, one
instance may be copied from another. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(self : handle, pose_index : int) -> NoneType
3. __init__(handle, str, int) -> NoneType
doc
4. __init__(self : handle, chain : str, resindex : int, insertion_code : str) -> NoneType
5. __init__(handle, rosetta.core.pose.ResidueIndexDescription) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.ResidueIndexDescription, : rosetta.core.pose.ResidueIndexDescription) -> rosetta.core.pose.ResidueIndexDescription
- chain(...) from builtins.PyCapsule
- chain(rosetta.core.pose.ResidueIndexDescription) -> str
- insertion_code(...) from builtins.PyCapsule
- insertion_code(rosetta.core.pose.ResidueIndexDescription) -> str
- pose_index(...) from builtins.PyCapsule
- pose_index(rosetta.core.pose.ResidueIndexDescription) -> int
- pose_numbered(...) from builtins.PyCapsule
- pose_numbered(rosetta.core.pose.ResidueIndexDescription) -> bool
- resindex(...) from builtins.PyCapsule
- resindex(rosetta.core.pose.ResidueIndexDescription) -> int
- resolve_index(...) from builtins.PyCapsule
- resolve_index(self : rosetta.core.pose.ResidueIndexDescription, p : rosetta.core.pose.Pose) -> int
Turn the internal data into a pose index (in the range from 1 to total residue)
or throw an exception if the index cannot be resolved.
- unassigned(...) from builtins.PyCapsule
- unassigned(rosetta.core.pose.ResidueIndexDescription) -> bool
|
class ResidueIndexDescriptionFromFile(ResidueIndexDescription) |
|
%ResidueIndexDescriptionFromFile differs from its parent only
in its error reporting when a residue index resolution fails: it
prints the file name and the line number that the residue index data
came from. |
|
- Method resolution order:
- ResidueIndexDescriptionFromFile
- ResidueIndexDescription
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(self : handle, fname : str, linenum : int, pose_index : int) -> NoneType
3. __init__(handle, str, int, str, int) -> NoneType
doc
4. __init__(self : handle, fname : str, linenum : int, chain : str, resindex : int, insertion_code : str) -> NoneType
5. __init__(handle, rosetta.core.pose.ResidueIndexDescriptionFromFile) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.ResidueIndexDescriptionFromFile, : rosetta.core.pose.ResidueIndexDescriptionFromFile) -> rosetta.core.pose.ResidueIndexDescriptionFromFile
- fname(...) from builtins.PyCapsule
- fname(rosetta.core.pose.ResidueIndexDescriptionFromFile) -> str
- linenum(...) from builtins.PyCapsule
- linenum(rosetta.core.pose.ResidueIndexDescriptionFromFile) -> int
- resolve_index(...) from builtins.PyCapsule
- resolve_index(self : rosetta.core.pose.ResidueIndexDescriptionFromFile, p : rosetta.core.pose.Pose) -> int
Turn the internal data into a pose index (in the range from 1 to total residue)
or throw an exception if the index cannot be resolved; the exception thrown by this
class if the resolution fails includes a statement of the file name and the line
number in that file.
Methods inherited from ResidueIndexDescription:
- chain(...) from builtins.PyCapsule
- chain(rosetta.core.pose.ResidueIndexDescription) -> str
- insertion_code(...) from builtins.PyCapsule
- insertion_code(rosetta.core.pose.ResidueIndexDescription) -> str
- pose_index(...) from builtins.PyCapsule
- pose_index(rosetta.core.pose.ResidueIndexDescription) -> int
- pose_numbered(...) from builtins.PyCapsule
- pose_numbered(rosetta.core.pose.ResidueIndexDescription) -> bool
- resindex(...) from builtins.PyCapsule
- resindex(rosetta.core.pose.ResidueIndexDescription) -> int
- unassigned(...) from builtins.PyCapsule
- unassigned(rosetta.core.pose.ResidueIndexDescription) -> bool
|
class UnrecognizedAtomRecord(builtins.object) |
|
info about an atom in a unrecognized res (not in pose, but we want to remember it) |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pose.UnrecognizedAtomRecord) -> NoneType
2. __init__(self : rosetta.core.pose.UnrecognizedAtomRecord, res_num : int, res_name : str, atom_name : str, coords : rosetta.numeric.xyzVector_double_t, temp : float) -> NoneType
3. __init__(self : rosetta.core.pose.UnrecognizedAtomRecord, : rosetta.core.pose.UnrecognizedAtomRecord) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.core.pose.UnrecognizedAtomRecord) -> str
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.UnrecognizedAtomRecord, : rosetta.core.pose.UnrecognizedAtomRecord) -> rosetta.core.pose.UnrecognizedAtomRecord
- atom_name(...) from builtins.PyCapsule
- atom_name(rosetta.core.pose.UnrecognizedAtomRecord) -> str
- coords(...) from builtins.PyCapsule
- coords(rosetta.core.pose.UnrecognizedAtomRecord) -> rosetta.numeric.xyzVector_double_t
- res_name(...) from builtins.PyCapsule
- res_name(rosetta.core.pose.UnrecognizedAtomRecord) -> str
- res_num(...) from builtins.PyCapsule
- res_num(rosetta.core.pose.UnrecognizedAtomRecord) -> int
- temp(...) from builtins.PyCapsule
- temp(rosetta.core.pose.UnrecognizedAtomRecord) -> float
|
class xyzStripeHashPose(rosetta.numeric.geometry.hashing.xyzStripeHash) |
| |
- Method resolution order:
- xyzStripeHashPose
- rosetta.numeric.geometry.hashing.xyzStripeHash
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.core.pose.xyzStripeHashPose) -> NoneType
doc
2. __init__(self : rosetta.core.pose.xyzStripeHashPose, radius : float) -> NoneType
3. __init__(rosetta.core.pose.xyzStripeHashPose, rosetta.core.pose.Pose) -> NoneType
doc
4. __init__(rosetta.core.pose.xyzStripeHashPose, rosetta.core.pose.Pose, rosetta.core.pose.PoseCoordPickMode) -> NoneType
doc
5. __init__(self : rosetta.core.pose.xyzStripeHashPose, p : rosetta.core.pose.Pose, m : rosetta.core.pose.PoseCoordPickMode, radius : float) -> NoneType
6. __init__(rosetta.core.pose.xyzStripeHashPose, rosetta.core.pose.Pose, rosetta.utility.vector1_int) -> NoneType
doc
7. __init__(rosetta.core.pose.xyzStripeHashPose, rosetta.core.pose.Pose, rosetta.utility.vector1_int, rosetta.core.pose.PoseCoordPickMode) -> NoneType
doc
8. __init__(self : rosetta.core.pose.xyzStripeHashPose, p : rosetta.core.pose.Pose, resmap : rosetta.utility.vector1_int, m : rosetta.core.pose.PoseCoordPickMode, radius : float) -> NoneType
9. __init__(rosetta.core.pose.xyzStripeHashPose, rosetta.core.pose.Pose, rosetta.core.id.AtomID_Map_double_t) -> NoneType
doc
10. __init__(self : rosetta.core.pose.xyzStripeHashPose, p : rosetta.core.pose.Pose, amap : rosetta.core.id.AtomID_Map_double_t, radius : float) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_pose(...) from builtins.PyCapsule
- add_pose(*args, **kwargs)
Overloaded function.
1. add_pose(self : rosetta.core.pose.xyzStripeHashPose, p : rosetta.core.pose.Pose, amap : rosetta.core.id.AtomID_Map_double_t) -> NoneType
2. add_pose(self : rosetta.core.pose.xyzStripeHashPose, p : rosetta.core.pose.Pose) -> NoneType
3. add_pose(self : rosetta.core.pose.xyzStripeHashPose, p : rosetta.core.pose.Pose, m : rosetta.core.pose.PoseCoordPickMode) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.core.pose.xyzStripeHashPose, : rosetta.core.pose.xyzStripeHashPose) -> rosetta.core.pose.xyzStripeHashPose
- extract_pose_balls(...) from builtins.PyCapsule
- extract_pose_balls(*args, **kwargs)
Overloaded function.
1. extract_pose_balls(p : rosetta.core.pose.Pose, balls : rosetta.utility.vector1_numeric_geometry_hashing_Ball) -> NoneType
2. extract_pose_balls(p : rosetta.core.pose.Pose, balls : rosetta.utility.vector1_numeric_geometry_hashing_Ball, m : rosetta.core.pose.PoseCoordPickMode) -> NoneType
3. extract_pose_balls(p : rosetta.core.pose.Pose, balls : rosetta.utility.vector1_numeric_geometry_hashing_Ball, amap : rosetta.core.id.AtomID_Map_double_t) -> NoneType
- init_posehash(...) from builtins.PyCapsule
- init_posehash(rosetta.core.pose.xyzStripeHashPose) -> NoneType
Methods inherited from rosetta.numeric.geometry.hashing.xyzStripeHash:
- ball(...) from builtins.PyCapsule
- ball(self : rosetta.numeric.geometry.hashing.xyzStripeHash, ib : int) -> rosetta.numeric.geometry.hashing.Ball
- begin(...) from builtins.PyCapsule
- begin(rosetta.numeric.geometry.hashing.xyzStripeHash) -> numeric::geometry::hashing::xyzStripeHash::const_iterator
- clash(...) from builtins.PyCapsule
- clash(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v_in : rosetta.numeric.xyzVector_float_t) -> bool
- clash_amount(...) from builtins.PyCapsule
- clash_amount(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v_in : rosetta.numeric.xyzVector_float_t) -> float
- clash_check_ball(...) from builtins.PyCapsule
- clash_check_ball(self : rosetta.numeric.geometry.hashing.xyzStripeHash, b : rosetta.numeric.geometry.hashing.Ball) -> int
- clash_check_residue_pairs(...) from builtins.PyCapsule
- clash_check_residue_pairs(self : rosetta.numeric.geometry.hashing.xyzStripeHash, test_balls : rosetta.utility.vector1_numeric_geometry_hashing_Ball, residue_pairs : rosetta.std.map_unsigned_long_unsigned_long) -> bool
- clash_not_resid(...) from builtins.PyCapsule
- clash_not_resid(*args, **kwargs)
Overloaded function.
1. clash_not_resid(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v_in : rosetta.numeric.xyzVector_float_t, resid : int) -> bool
2. clash_not_resid(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v_in : rosetta.numeric.xyzVector_float_t, resid : int, resid2 : int) -> bool
- clash_raw(...) from builtins.PyCapsule
- clash_raw(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v : rosetta.numeric.xyzVector_float_t) -> bool
- debug_pdb(...) from builtins.PyCapsule
- debug_pdb(*args, **kwargs)
Overloaded function.
1. debug_pdb(rosetta.numeric.geometry.hashing.xyzStripeHash) -> str
2. debug_pdb(self : rosetta.numeric.geometry.hashing.xyzStripeHash, x : rosetta.numeric.xyzTransform_double_t) -> str
- end(...) from builtins.PyCapsule
- end(rosetta.numeric.geometry.hashing.xyzStripeHash) -> numeric::geometry::hashing::xyzStripeHash::const_iterator
- fill_pairs(...) from builtins.PyCapsule
- fill_pairs(*args, **kwargs)
Overloaded function.
1. fill_pairs(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v : rosetta.numeric.xyzVector_float_t, ir : int, pairs : rosetta.utility.vector1_std_pair_int_int_t) -> NoneType
2. fill_pairs(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v : rosetta.numeric.xyzVector_float_t, ir : int, pairs : rosetta.utility.vector1_std_pair_int_int_t, maxd2 : float) -> NoneType
- grid_atoms(...) from builtins.PyCapsule
- grid_atoms(rosetta.numeric.geometry.hashing.xyzStripeHash) -> rosetta.numeric.geometry.hashing.Ball
- grid_size(...) from builtins.PyCapsule
- grid_size(rosetta.numeric.geometry.hashing.xyzStripeHash) -> float
- grid_size2(...) from builtins.PyCapsule
- grid_size2(rosetta.numeric.geometry.hashing.xyzStripeHash) -> float
- grid_stripe(...) from builtins.PyCapsule
- grid_stripe(rosetta.numeric.geometry.hashing.xyzStripeHash) -> numeric::geometry::hashing::xyzStripeHash::ushort2
- init(...) from builtins.PyCapsule
- init(self : rosetta.numeric.geometry.hashing.xyzStripeHash, balls : rosetta.utility.vector1_numeric_geometry_hashing_Ball) -> NoneType
- natom(...) from builtins.PyCapsule
- natom(rosetta.numeric.geometry.hashing.xyzStripeHash) -> int
- nbcount(...) from builtins.PyCapsule
- nbcount(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v_in : rosetta.numeric.xyzVector_float_t) -> int
- nbcount_raw(...) from builtins.PyCapsule
- nbcount_raw(self : rosetta.numeric.geometry.hashing.xyzStripeHash, v : rosetta.numeric.xyzVector_float_t) -> int
- resi(...) from builtins.PyCapsule
- resi(self : rosetta.numeric.geometry.hashing.xyzStripeHash, ib : int) -> int
- sanity_check(...) from builtins.PyCapsule
- sanity_check(rosetta.numeric.geometry.hashing.xyzStripeHash) -> bool
- size(...) from builtins.PyCapsule
- size(rosetta.numeric.geometry.hashing.xyzStripeHash) -> int
- translation(...) from builtins.PyCapsule
- translation(rosetta.numeric.geometry.hashing.xyzStripeHash) -> rosetta.numeric.xyzVector_float_t
- translation_real(...) from builtins.PyCapsule
- translation_real(rosetta.numeric.geometry.hashing.xyzStripeHash) -> rosetta.numeric.xyzVector_double_t
- xdim(...) from builtins.PyCapsule
- xdim(rosetta.numeric.geometry.hashing.xyzStripeHash) -> int
- xyz(...) from builtins.PyCapsule
- xyz(self : rosetta.numeric.geometry.hashing.xyzStripeHash, ib : int) -> rosetta.numeric.xyzVector_float_t
- ydim(...) from builtins.PyCapsule
- ydim(rosetta.numeric.geometry.hashing.xyzStripeHash) -> int
- zdim(...) from builtins.PyCapsule
- zdim(rosetta.numeric.geometry.hashing.xyzStripeHash) -> int
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