schrodinger.protein.annotation module¶
Implementation of Multiple Sequence Viewer Annotation class.
Copyright Schrodinger, LLC. All rights reserved.
-
class
schrodinger.protein.annotation.
BINDING_SITE
¶ Bases:
enum.Enum
An enumeration.
-
CLOSE_CONTACT
= 1¶
-
FAR_CONTACT
= 2¶
-
NO_CONTACT
= 3¶
-
__class__
¶ alias of
enum.EnumMeta
-
__members__
= mappingproxy(OrderedDict([('CLOSE_CONTACT', <BINDING_SITE.CLOSE_CONTACT: 1>), ('FAR_CONTACT', <BINDING_SITE.FAR_CONTACT: 2>), ('NO_CONTACT', <BINDING_SITE.NO_CONTACT: 3>)]))¶
-
__module__
= 'schrodinger.protein.annotation'¶
-
-
class
schrodinger.protein.annotation.
AntibodyCDRLabel
¶ Bases:
enum.Enum
An enumeration.
-
H1
= 5¶
-
H2
= 6¶
-
H3
= 7¶
-
L1
= 2¶
-
L2
= 3¶
-
L3
= 4¶
-
NotCDR
= 1¶
-
__class__
¶ alias of
enum.EnumMeta
-
__members__
= mappingproxy(OrderedDict([('NotCDR', <AntibodyCDRLabel.NotCDR: 1>), ('L1', <AntibodyCDRLabel.L1: 2>), ('L2', <AntibodyCDRLabel.L2: 3>), ('L3', <AntibodyCDRLabel.L3: 4>), ('H1', <AntibodyCDRLabel.H1: 5>), ('H2', <AntibodyCDRLabel.H2: 6>), ('H3', <AntibodyCDRLabel.H3: 7>)]))¶
-
__module__
= 'schrodinger.protein.annotation'¶
-
-
class
schrodinger.protein.annotation.
AntibodyCDR
(label, start, end)¶ Bases:
tuple
-
__add__
¶ Return self+value.
-
__class__
¶ alias of
builtins.type
-
__contains__
¶ Return key in self.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__getitem__
¶ Return self[key].
-
__getnewargs__
()¶ Return self as a plain tuple. Used by copy and pickle.
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__iter__
¶ Implement iter(self).
-
__le__
¶ Return self<=value.
-
__len__
¶ Return len(self).
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__mul__
¶ Return self*value.n
-
__ne__
¶ Return self!=value.
-
static
__new__
(_cls, label, start, end)¶ Create new instance of AntibodyCDR(label, start, end)
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
()¶ Return a nicely formatted representation string
-
__rmul__
¶ Return self*value.
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__slots__
= ()¶
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
count
(value) → integer -- return number of occurrences of value¶
-
end
¶ Alias for field number 2
-
index
(value[, start[, stop]]) → integer -- return first index of value.¶ Raises ValueError if the value is not present.
-
label
¶ Alias for field number 0
-
start
¶ Alias for field number 1
-
-
class
schrodinger.protein.annotation.
Consensus
¶ Bases:
enum.Enum
An enumeration.
-
not_conserved
= ' '¶
-
fully_conserved
= '*'¶
-
strongly_conserved
= ':'¶
-
weakly_conserved
= '.'¶
-
__class__
¶ alias of
enum.EnumMeta
-
__members__
= mappingproxy(OrderedDict([('not_conserved', <Consensus.not_conserved: ' '>), ('fully_conserved', <Consensus.fully_conserved: '*'>), ('strongly_conserved', <Consensus.strongly_conserved: ':'>), ('weakly_conserved', <Consensus.weakly_conserved: '.'>)]))¶
-
__module__
= 'schrodinger.protein.annotation'¶
-
-
class
schrodinger.protein.annotation.
AbstractSequenceAnnotations
(seq)¶ Bases:
PyQt5.QtCore.QObject
A base class for single-chain and combined-chain sequence annotations
Variables: titleChanged ( QtCore.pyqtSignal
) – A signal emitted after an annotation’s title (row header) changes.-
titleChanged
¶
-
__init__
(seq)¶ Parameters: seq (sequence.Sequence) – The sequence to store annotations for.
-
sequence
¶ A descriptor for an instance attribute that should be stored as a weakref. Unlike weakref.proxy, this descriptor allows the attribute to be hashed.
Note that the weakref is stored on the instance using the same name as the descriptor (which is stored on the class). Since this descriptor implements __set__, it will always take precedence over the value stored on the instance.
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.protein.annotation', '__doc__': "\n A base class for single-chain and combined-chain sequence annotations\n\n :ivar titleChanged: A signal emitted after an annotation's title (row header)\n changes.\n :vartype titleChanged: `QtCore.pyqtSignal`\n ", 'titleChanged': <unbound PYQT_SIGNAL AbstractSequenceAnnotations.titleChanged[]>, 'sequence': <schrodinger.infra.util.WeakRefAttribute object>, '__init__': <function AbstractSequenceAnnotations.__init__>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(self, str) → object¶
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
blockSignals
(self, bool) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
connectNotify
(self, QMetaMethod)¶
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
inherits
(self, str) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
killTimer
(self, int)¶
-
metaObject
(self) → QMetaObject¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self) → QObject¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeEventFilter
(self, QObject)¶
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
signalsBlocked
(self) → bool¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
-
class
schrodinger.protein.annotation.
SequenceAnnotations
(seq)¶ Bases:
schrodinger.protein.annotation.AbstractSequenceAnnotations
Knows how to annotate a single-chain sequence
Annotations can be set at the level of the sequence as a whole, or be per sequence element annotations. If an attribute is accessed on the SequenceAnnotations object, the attribute is first looked for on the object and if not found is assumed to be a per sequence element annotation. If the elements in the sequence lack the attribute, an AttributeError will be raised.
-
__getattr__
(attr)¶ Returns a list of annotations, one for each residue in the sequence.
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.protein.annotation', '__doc__': '\n Knows how to annotate a single-chain sequence\n\n Annotations can be set at the level of the sequence as a whole, or be per\n sequence element annotations. If an attribute is accessed on the\n SequenceAnnotations object, the attribute is first looked for on the object\n and if not found is assumed to be a per sequence element annotation. If the\n elements in the sequence lack the attribute, an AttributeError will be\n raised.\n ', '_getSequenceLengthAnnotation': <function SequenceAnnotations._getSequenceLengthAnnotation>, '_setSequenceLengthAnnotation': <function SequenceAnnotations._setSequenceLengthAnnotation>, '_lengthCheck': <function SequenceAnnotations._lengthCheck>, '__getattr__': <function SequenceAnnotations.__getattr__>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(seq)¶ Parameters: seq (sequence.Sequence) – The sequence to store annotations for.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
blockSignals
(self, bool) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
connectNotify
(self, QMetaMethod)¶
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
inherits
(self, str) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
killTimer
(self, int)¶
-
metaObject
(self) → QMetaObject¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self) → QObject¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeEventFilter
(self, QObject)¶
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
signalsBlocked
(self) → bool¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
titleChanged
¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
-
class
schrodinger.protein.annotation.
ProteinSequenceAnnotations
(seq)¶ Bases:
schrodinger.protein.annotation.SequenceAnnotations
Knows how to annotate a ProteinSequence
-
class
ANNOTATION_TYPES
¶ Bases:
object
-
__class__
¶ alias of
enum_speedup.<locals>.meta
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'resnum': <ANNOTATION_TYPES.resnum: 1>, 'rescode': <ANNOTATION_TYPES.rescode: 2>, 'disulfide_bonds': <ANNOTATION_TYPES.disulfide_bonds: 3>, 'helix_propensity': <ANNOTATION_TYPES.helix_propensity: 4>, 'beta_strand_propensity': <ANNOTATION_TYPES.beta_strand_propensity: 5>, 'turn_propensity': <ANNOTATION_TYPES.turn_propensity: 6>, 'helix_termination_tendency': <ANNOTATION_TYPES.helix_termination_tendency: 7>, 'exposure_tendency': <ANNOTATION_TYPES.exposure_tendency: 8>, 'steric_group': <ANNOTATION_TYPES.steric_group: 9>, 'side_chain_chem': <ANNOTATION_TYPES.side_chain_chem: 10>, 'hydrophobicity': <ANNOTATION_TYPES.hydrophobicity: 11>, 'isoelectric_point': <ANNOTATION_TYPES.isoelectric_point: 12>, 'b_factor': <ANNOTATION_TYPES.b_factor: 13>, 'window_hydrophobicity': <ANNOTATION_TYPES.window_hydrophobicity: 14>, 'window_isoelectric_point': <ANNOTATION_TYPES.window_isoelectric_point: 15>, 'secondary_structure': <ANNOTATION_TYPES.secondary_structure: 16>, 'binding_sites': <ANNOTATION_TYPES.binding_sites: 17>, 'antibody_cdr': <ANNOTATION_TYPES.antibody_cdr: 18>, 'sasa': <ANNOTATION_TYPES.sasa: 19>, '__module__': 'schrodinger.infra.util', '__dict__': <attribute '__dict__' of 'ANNOTATION_TYPES' objects>, '__weakref__': <attribute '__weakref__' of 'ANNOTATION_TYPES' objects>, '__doc__': None})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.util'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
antibody_cdr
= 18¶
-
b_factor
= 13¶
-
beta_strand_propensity
= 5¶
-
binding_sites
= 17¶
-
disulfide_bonds
= 3¶
-
exposure_tendency
= 8¶
-
helix_propensity
= 4¶
-
helix_termination_tendency
= 7¶
-
hydrophobicity
= 11¶
-
isoelectric_point
= 12¶
-
rescode
= 2¶
-
resnum
= 1¶
-
sasa
= 19¶
-
secondary_structure
= 16¶
-
side_chain_chem
= 10¶
-
steric_group
= 9¶
-
turn_propensity
= 6¶
-
window_hydrophobicity
= 14¶
-
window_isoelectric_point
= 15¶
-
-
RES_PROPENSITY_ANNOTATIONS
= {<ANNOTATION_TYPES.turn_propensity: 6>, <ANNOTATION_TYPES.steric_group: 9>, <ANNOTATION_TYPES.helix_propensity: 4>, <ANNOTATION_TYPES.side_chain_chem: 10>, <ANNOTATION_TYPES.helix_termination_tendency: 7>, <ANNOTATION_TYPES.exposure_tendency: 8>, <ANNOTATION_TYPES.beta_strand_propensity: 5>}¶
-
__init__
(seq)¶ Parameters: seq (sequence.Sequence) – The sequence to store annotations for.
-
window_hydrophobicity
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
invalidateWindowHydrophobicity
()¶ Invalidate the cached window hydrophobicity data. Note that this method is also called from the sequence when the window size changes.
-
window_isoelectric_point
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
invalidateWindowIsoelectricPoint
()¶ Invalidate the cached window isoelectric point data. Note that this method is also called from the sequence when the window size changes.
-
sasa
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
getAntibodyCDR
(col, scheme)¶ Returns the antibody CDR information of the col’th index in the sequence under a given antibody CDR numbering scheme.
Parameters: - col (int) – index into the sequence
- scheme (
AntibodyCDRScheme
) – The antibody CDR numbering scheme to use
Returns: Antibody CDR label, start, and end positions
Return type: AntibodyCDR
, which is a named tuple of (AntibodyCDRLabel
, int, int) if col is in a CDR, otherwise (AntibodyCDRLabel.NotCDR, None, None)
-
getAntibodyCDRs
(scheme)¶ Returns a list of antibody CDR information for the entire sequence.
Parameters: scheme (AntibodyCDRScheme) – The antibody CDR numbering scheme to use Returns: A list of Antibody CDR labels, starts, and end positions Return type: list(AntibodyCDR)
-
isAntibodyChain
()¶ Returns: Whether the sequence described is an antibody chain Return type: bool
-
getSparseRescodes
(modulo)¶
-
binding_sites
¶
-
ligands
¶
-
onStructureChanged
()¶
-
setLigandDistance
(distance)¶ Updates the ligand distance and invalidates the cache
-
resetAnnotation
(ann)¶ Force a reset of an annotation’s cache.
-
clearAllCaching
()¶
-
getSSBondPartner
(index)¶ Return the residue’s intra-sequence disulfide bond partner, if any.
If the residue is not involved in a disulfide bond, its partner has been deleted, or its partner is in another sequence, it will return None.
Parameters: index (int) – Index of the residue to check Returns: the other Residue in the disulfide bond or None Return type: schrodinger.protein.residue.Residue or None
-
inscode
¶
-
resnum
¶
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.protein.annotation', '__doc__': '\n Knows how to annotate a ProteinSequence\n ', 'ANNOTATION_TYPES': <class 'schrodinger.infra.util.ANNOTATION_TYPES'>, 'RES_PROPENSITY_ANNOTATIONS': {<ANNOTATION_TYPES.turn_propensity: 6>, <ANNOTATION_TYPES.steric_group: 9>, <ANNOTATION_TYPES.helix_propensity: 4>, <ANNOTATION_TYPES.side_chain_chem: 10>, <ANNOTATION_TYPES.helix_termination_tendency: 7>, <ANNOTATION_TYPES.exposure_tendency: 8>, <ANNOTATION_TYPES.beta_strand_propensity: 5>}, '__init__': <function ProteinSequenceAnnotations.__init__>, 'window_hydrophobicity': <schrodinger.infra.util.cached_property object>, 'invalidateWindowHydrophobicity': <function ProteinSequenceAnnotations.invalidateWindowHydrophobicity>, 'window_isoelectric_point': <schrodinger.infra.util.cached_property object>, 'invalidateWindowIsoelectricPoint': <function ProteinSequenceAnnotations.invalidateWindowIsoelectricPoint>, 'sasa': <schrodinger.infra.util.cached_property object>, '_invalidateSASA': <function ProteinSequenceAnnotations._invalidateSASA>, '_getWindowAvgAnnotation': <function ProteinSequenceAnnotations._getWindowAvgAnnotation>, 'getAntibodyCDR': <function ProteinSequenceAnnotations.getAntibodyCDR>, 'getAntibodyCDRs': <function ProteinSequenceAnnotations.getAntibodyCDRs>, 'isAntibodyChain': <function ProteinSequenceAnnotations.isAntibodyChain>, '_invalidateAntibodyCDRSlot': <function ProteinSequenceAnnotations._invalidateAntibodyCDRSlot>, '_invalidateAntibodyCDRs': <function ProteinSequenceAnnotations._invalidateAntibodyCDRs>, 'getSparseRescodes': <function ProteinSequenceAnnotations.getSparseRescodes>, 'binding_sites': <property object>, 'ligands': <property object>, 'onStructureChanged': <function ProteinSequenceAnnotations.onStructureChanged>, 'setLigandDistance': <function ProteinSequenceAnnotations.setLigandDistance>, '_invalidateLigandContacts': <function ProteinSequenceAnnotations._invalidateLigandContacts>, '_updateLigandContacts': <function ProteinSequenceAnnotations._updateLigandContacts>, 'resetAnnotation': <function ProteinSequenceAnnotations.resetAnnotation>, 'clearAllCaching': <function ProteinSequenceAnnotations.clearAllCaching>, 'getSSBondPartner': <function ProteinSequenceAnnotations.getSSBondPartner>, 'inscode': <property object>, 'resnum': <property object>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(attr)¶ Returns a list of annotations, one for each residue in the sequence.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
blockSignals
(self, bool) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
connectNotify
(self, QMetaMethod)¶
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
inherits
(self, str) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
killTimer
(self, int)¶
-
metaObject
(self) → QMetaObject¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self) → QObject¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeEventFilter
(self, QObject)¶
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
signalsBlocked
(self) → bool¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
titleChanged
¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
class
-
class
schrodinger.protein.annotation.
NucleicAcidSequenceAnnotations
(seq)¶ Bases:
schrodinger.protein.annotation.ProteinSequenceAnnotations
-
class
ANNOTATION_TYPES
¶ Bases:
object
-
__class__
¶ alias of
enum_speedup.<locals>.meta
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'resnum': <ANNOTATION_TYPES.resnum: 1>, 'rescode': <ANNOTATION_TYPES.rescode: 2>, 'disulfide_bonds': <ANNOTATION_TYPES.disulfide_bonds: 3>, 'helix_propensity': <ANNOTATION_TYPES.helix_propensity: 4>, 'beta_strand_propensity': <ANNOTATION_TYPES.beta_strand_propensity: 5>, 'turn_propensity': <ANNOTATION_TYPES.turn_propensity: 6>, 'helix_termination_tendency': <ANNOTATION_TYPES.helix_termination_tendency: 7>, 'exposure_tendency': <ANNOTATION_TYPES.exposure_tendency: 8>, 'steric_group': <ANNOTATION_TYPES.steric_group: 9>, 'side_chain_chem': <ANNOTATION_TYPES.side_chain_chem: 10>, 'hydrophobicity': <ANNOTATION_TYPES.hydrophobicity: 11>, 'isoelectric_point': <ANNOTATION_TYPES.isoelectric_point: 12>, 'b_factor': <ANNOTATION_TYPES.b_factor: 13>, 'window_hydrophobicity': <ANNOTATION_TYPES.window_hydrophobicity: 14>, 'window_isoelectric_point': <ANNOTATION_TYPES.window_isoelectric_point: 15>, 'secondary_structure': <ANNOTATION_TYPES.secondary_structure: 16>, 'binding_sites': <ANNOTATION_TYPES.binding_sites: 17>, 'antibody_cdr': <ANNOTATION_TYPES.antibody_cdr: 18>, 'sasa': <ANNOTATION_TYPES.sasa: 19>, '__module__': 'schrodinger.infra.util', '__dict__': <attribute '__dict__' of 'ANNOTATION_TYPES' objects>, '__weakref__': <attribute '__weakref__' of 'ANNOTATION_TYPES' objects>, '__doc__': None})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.util'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
antibody_cdr
= 18¶
-
b_factor
= 13¶
-
beta_strand_propensity
= 5¶
-
binding_sites
= 17¶
-
disulfide_bonds
= 3¶
-
exposure_tendency
= 8¶
-
helix_propensity
= 4¶
-
helix_termination_tendency
= 7¶
-
hydrophobicity
= 11¶
-
isoelectric_point
= 12¶
-
rescode
= 2¶
-
resnum
= 1¶
-
sasa
= 19¶
-
secondary_structure
= 16¶
-
side_chain_chem
= 10¶
-
steric_group
= 9¶
-
turn_propensity
= 6¶
-
window_hydrophobicity
= 14¶
-
window_isoelectric_point
= 15¶
-
-
RES_PROPENSITY_ANNOTATIONS
= {<ANNOTATION_TYPES.turn_propensity: 6>, <ANNOTATION_TYPES.steric_group: 9>, <ANNOTATION_TYPES.helix_propensity: 4>, <ANNOTATION_TYPES.side_chain_chem: 10>, <ANNOTATION_TYPES.helix_termination_tendency: 7>, <ANNOTATION_TYPES.exposure_tendency: 8>, <ANNOTATION_TYPES.beta_strand_propensity: 5>}¶
-
__class__
¶ alias of
sip.wrappertype
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.protein.annotation', '__doc__': None})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(attr)¶ Returns a list of annotations, one for each residue in the sequence.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(seq)¶ Parameters: seq (sequence.Sequence) – The sequence to store annotations for.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
binding_sites
¶
-
blockSignals
(self, bool) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
clearAllCaching
()¶
-
connectNotify
(self, QMetaMethod)¶
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
getAntibodyCDR
(col, scheme)¶ Returns the antibody CDR information of the col’th index in the sequence under a given antibody CDR numbering scheme.
Parameters: - col (int) – index into the sequence
- scheme (
AntibodyCDRScheme
) – The antibody CDR numbering scheme to use
Returns: Antibody CDR label, start, and end positions
Return type: AntibodyCDR
, which is a named tuple of (AntibodyCDRLabel
, int, int) if col is in a CDR, otherwise (AntibodyCDRLabel.NotCDR, None, None)
-
getAntibodyCDRs
(scheme)¶ Returns a list of antibody CDR information for the entire sequence.
Parameters: scheme (AntibodyCDRScheme) – The antibody CDR numbering scheme to use Returns: A list of Antibody CDR labels, starts, and end positions Return type: list(AntibodyCDR)
-
getSSBondPartner
(index)¶ Return the residue’s intra-sequence disulfide bond partner, if any.
If the residue is not involved in a disulfide bond, its partner has been deleted, or its partner is in another sequence, it will return None.
Parameters: index (int) – Index of the residue to check Returns: the other Residue in the disulfide bond or None Return type: schrodinger.protein.residue.Residue or None
-
getSparseRescodes
(modulo)¶
-
inherits
(self, str) → bool¶
-
inscode
¶
-
installEventFilter
(self, QObject)¶
-
invalidateWindowHydrophobicity
()¶ Invalidate the cached window hydrophobicity data. Note that this method is also called from the sequence when the window size changes.
-
invalidateWindowIsoelectricPoint
()¶ Invalidate the cached window isoelectric point data. Note that this method is also called from the sequence when the window size changes.
-
isAntibodyChain
()¶ Returns: Whether the sequence described is an antibody chain Return type: bool
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
killTimer
(self, int)¶
-
ligands
¶
-
metaObject
(self) → QMetaObject¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
onStructureChanged
()¶
-
parent
(self) → QObject¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeEventFilter
(self, QObject)¶
-
resetAnnotation
(ann)¶ Force a reset of an annotation’s cache.
-
resnum
¶
-
sasa
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setLigandDistance
(distance)¶ Updates the ligand distance and invalidates the cache
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
signalsBlocked
(self) → bool¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
titleChanged
¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
window_hydrophobicity
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
window_isoelectric_point
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
class
-
class
schrodinger.protein.annotation.
ProteinAlignmentAnnotations
(aln)¶ Bases:
object
Knows how to annotate an alignment (a collection of aligned sequences)
-
class
ANNOTATION_TYPES
¶ Bases:
object
-
__class__
¶ alias of
enum_speedup.<locals>.meta
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'indices': <ANNOTATION_TYPES.indices: 1>, 'mean_hydrophobicity': <ANNOTATION_TYPES.mean_hydrophobicity: 2>, 'mean_isoelectric_point': <ANNOTATION_TYPES.mean_isoelectric_point: 3>, 'consensus_symbols': <ANNOTATION_TYPES.consensus_symbols: 4>, 'consensus_seq': <ANNOTATION_TYPES.consensus_seq: 5>, 'consensus_freq': <ANNOTATION_TYPES.consensus_freq: 6>, 'sequence_logo': <ANNOTATION_TYPES.sequence_logo: 7>, '__module__': 'schrodinger.infra.util', '__dict__': <attribute '__dict__' of 'ANNOTATION_TYPES' objects>, '__weakref__': <attribute '__weakref__' of 'ANNOTATION_TYPES' objects>, '__doc__': None})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.util'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
consensus_freq
= 6¶
-
consensus_seq
= 5¶
-
consensus_symbols
= 4¶
-
indices
= 1¶
-
mean_hydrophobicity
= 2¶
-
mean_isoelectric_point
= 3¶
-
sequence_logo
= 7¶
-
-
__init__
(aln)¶ Parameters: aln – alignment.Alignment
-
alignment
¶ A descriptor for an instance attribute that should be stored as a weakref. Unlike weakref.proxy, this descriptor allows the attribute to be hashed.
Note that the weakref is stored on the instance using the same name as the descriptor (which is stored on the class). Since this descriptor implements __set__, it will always take precedence over the value stored on the instance.
-
indices
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
mean_hydrophobicity
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
mean_isoelectric_point
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
consensus_seq
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
consensus_freq
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
consensus_symbols
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
sequence_logo
¶ Decorator that converts a method with a single self argument into a property cached on the instance.
Use del to delete the currently cached value and force a recalculation on the next access. See the tests for examples.
This class is based on code that is Copyright (c) Django Software Foundation
-
clearAllCaching
()¶
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.protein.annotation', '__doc__': '\n Knows how to annotate an alignment (a collection of aligned sequences)\n ', 'ANNOTATION_TYPES': <class 'schrodinger.infra.util.ANNOTATION_TYPES'>, 'alignment': <schrodinger.infra.util.WeakRefAttribute object>, '__init__': <function ProteinAlignmentAnnotations.__init__>, '_alnMeanAnnotation': <function ProteinAlignmentAnnotations._alnMeanAnnotation>, 'indices': <schrodinger.infra.util.cached_property object>, 'mean_hydrophobicity': <schrodinger.infra.util.cached_property object>, 'mean_isoelectric_point': <schrodinger.infra.util.cached_property object>, 'consensus_seq': <schrodinger.infra.util.cached_property object>, 'consensus_freq': <schrodinger.infra.util.cached_property object>, 'consensus_symbols': <schrodinger.infra.util.cached_property object>, 'sequence_logo': <schrodinger.infra.util.cached_property object>, 'clearAllCaching': <function ProteinAlignmentAnnotations.clearAllCaching>, '__dict__': <attribute '__dict__' of 'ProteinAlignmentAnnotations' objects>, '__weakref__': <attribute '__weakref__' of 'ProteinAlignmentAnnotations' objects>})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
class
-
class
schrodinger.protein.annotation.
CombinedChainSequenceAnnotationMeta
¶ Bases:
schrodinger.application.msv.utils.QtDocstringWrapperMetaClass
The metaclass for
CombinedChainSequenceAnnotations
. This metaclass automatically wraps getters for all sequence annotations.-
__base__
¶ alias of
schrodinger.application.msv.utils.QtDocstringWrapperMetaClass
-
__bases__
= (<class 'schrodinger.application.msv.utils.QtDocstringWrapperMetaClass'>,)¶
-
__basicsize__
= 904¶
-
__call__
¶ Call self as a function.
-
__class__
¶ alias of
builtins.type
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.protein.annotation', '__doc__': '\n The metaclass for `CombinedChainSequenceAnnotations`. This metaclass\n automatically wraps getters for all sequence annotations.\n ', '__new__': <staticmethod object>, '_createAnnotationWrapper': <staticmethod object>})¶
-
__dictoffset__
= 264¶
-
__dir__
() → list¶ specialized __dir__ implementation for types
-
__eq__
¶ Return self==value.
-
__flags__
= 2148292097¶
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__instancecheck__
() → bool¶ check if an object is an instance
-
__itemsize__
= 40¶
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__mro__
= (<class 'schrodinger.protein.annotation.CombinedChainSequenceAnnotationMeta'>, <class 'schrodinger.application.msv.utils.QtDocstringWrapperMetaClass'>, <class 'schrodinger.application.msv.utils.DocstringWrapperMetaClass'>, <class 'sip.wrappertype'>, <class 'type'>, <class 'object'>)¶
-
__name__
= 'CombinedChainSequenceAnnotationMeta'¶
-
__ne__
¶ Return self!=value.
-
static
__new__
(metacls, cls, bases, classdict, *, wraps=None)¶ See Python documentation for positional argument documentation.
Parameters: wraps (type or None) – The SequenceAnnotations
subclass to wrap. If None, no wrapping will be done. (This allows for subclassing of the wrapper class.)
-
__prepare__
() → dict¶ used to create the namespace for the class statement
-
__qualname__
= 'CombinedChainSequenceAnnotationMeta'¶
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ return memory consumption of the type object
-
__str__
¶ Return str(self).
-
__subclasscheck__
() → bool¶ check if a class is a subclass
-
__subclasses__
() → list of immediate subclasses¶
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__text_signature__
= None¶
-
__weakrefoffset__
= 368¶
-
mro
() → list¶ return a type’s method resolution order
-
-
class
schrodinger.protein.annotation.
CombinedChainProteinSequenceAnnotations
(seq)¶ Bases:
schrodinger.protein.annotation.AbstractSequenceAnnotations
Sequence annotations for a
sequence.CombinedChainProteinSequence
. Annotations will be fetched from theProteinSequenceAnnotations
objects for each split-chain sequence.-
class
ANNOTATION_TYPES
¶ Bases:
object
-
__class__
¶ alias of
enum_speedup.<locals>.meta
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'resnum': <ANNOTATION_TYPES.resnum: 1>, 'rescode': <ANNOTATION_TYPES.rescode: 2>, 'disulfide_bonds': <ANNOTATION_TYPES.disulfide_bonds: 3>, 'helix_propensity': <ANNOTATION_TYPES.helix_propensity: 4>, 'beta_strand_propensity': <ANNOTATION_TYPES.beta_strand_propensity: 5>, 'turn_propensity': <ANNOTATION_TYPES.turn_propensity: 6>, 'helix_termination_tendency': <ANNOTATION_TYPES.helix_termination_tendency: 7>, 'exposure_tendency': <ANNOTATION_TYPES.exposure_tendency: 8>, 'steric_group': <ANNOTATION_TYPES.steric_group: 9>, 'side_chain_chem': <ANNOTATION_TYPES.side_chain_chem: 10>, 'hydrophobicity': <ANNOTATION_TYPES.hydrophobicity: 11>, 'isoelectric_point': <ANNOTATION_TYPES.isoelectric_point: 12>, 'b_factor': <ANNOTATION_TYPES.b_factor: 13>, 'window_hydrophobicity': <ANNOTATION_TYPES.window_hydrophobicity: 14>, 'window_isoelectric_point': <ANNOTATION_TYPES.window_isoelectric_point: 15>, 'secondary_structure': <ANNOTATION_TYPES.secondary_structure: 16>, 'binding_sites': <ANNOTATION_TYPES.binding_sites: 17>, 'antibody_cdr': <ANNOTATION_TYPES.antibody_cdr: 18>, 'sasa': <ANNOTATION_TYPES.sasa: 19>, '__module__': 'schrodinger.infra.util', '__dict__': <attribute '__dict__' of 'ANNOTATION_TYPES' objects>, '__weakref__': <attribute '__weakref__' of 'ANNOTATION_TYPES' objects>, '__doc__': None})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
¶ Initialize self. See help(type(self)) for accurate signature.
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.infra.util'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
antibody_cdr
= 18¶
-
b_factor
= 13¶
-
beta_strand_propensity
= 5¶
-
binding_sites
= 17¶
-
disulfide_bonds
= 3¶
-
exposure_tendency
= 8¶
-
helix_propensity
= 4¶
-
helix_termination_tendency
= 7¶
-
hydrophobicity
= 11¶
-
isoelectric_point
= 12¶
-
rescode
= 2¶
-
resnum
= 1¶
-
sasa
= 19¶
-
secondary_structure
= 16¶
-
side_chain_chem
= 10¶
-
steric_group
= 9¶
-
turn_propensity
= 6¶
-
window_hydrophobicity
= 14¶
-
window_isoelectric_point
= 15¶
-
-
RES_PROPENSITY_ANNOTATIONS
= {<ANNOTATION_TYPES.turn_propensity: 6>, <ANNOTATION_TYPES.steric_group: 9>, <ANNOTATION_TYPES.helix_propensity: 4>, <ANNOTATION_TYPES.side_chain_chem: 10>, <ANNOTATION_TYPES.helix_termination_tendency: 7>, <ANNOTATION_TYPES.exposure_tendency: 8>, <ANNOTATION_TYPES.beta_strand_propensity: 5>}¶
-
__class__
¶ alias of
CombinedChainSequenceAnnotationMeta
-
__delattr__
¶ Implement delattr(self, name).
-
__dict__
= mappingproxy({'__module__': 'schrodinger.protein.annotation', '__doc__': '\n Sequence annotations for a `sequence.CombinedChainProteinSequence`.\n Annotations will be fetched from the `ProteinSequenceAnnotations` objects\n for each split-chain sequence.\n ', 'sequence': <schrodinger.infra.util.WeakRefAttribute object>, '__init__': <function CombinedChainProteinSequenceAnnotations.__init__>, '_adjustCDR': <function CombinedChainProteinSequenceAnnotations._adjustCDR>, 'getAntibodyCDR': <function CombinedChainProteinSequenceAnnotations.getAntibodyCDR>, 'getAntibodyCDRs': <function CombinedChainProteinSequenceAnnotations.getAntibodyCDRs>, 'isAntibodyChain': <function CombinedChainProteinSequenceAnnotations.isAntibodyChain>, 'resnum': <property object>, 'rescode': <property object>, 'disulfide_bonds': <property object>, 'helix_propensity': <property object>, 'beta_strand_propensity': <property object>, 'turn_propensity': <property object>, 'helix_termination_tendency': <property object>, 'exposure_tendency': <property object>, 'steric_group': <property object>, 'side_chain_chem': <property object>, 'hydrophobicity': <property object>, 'isoelectric_point': <property object>, 'b_factor': <property object>, 'window_hydrophobicity': <property object>, 'window_isoelectric_point': <property object>, 'secondary_structure': <property object>, 'binding_sites': <property object>, 'antibody_cdr': <property object>, 'sasa': <property object>, 'ANNOTATION_TYPES': <class 'schrodinger.infra.util.ANNOTATION_TYPES'>, 'RES_PROPENSITY_ANNOTATIONS': {<ANNOTATION_TYPES.turn_propensity: 6>, <ANNOTATION_TYPES.steric_group: 9>, <ANNOTATION_TYPES.helix_propensity: 4>, <ANNOTATION_TYPES.side_chain_chem: 10>, <ANNOTATION_TYPES.helix_termination_tendency: 7>, <ANNOTATION_TYPES.exposure_tendency: 8>, <ANNOTATION_TYPES.beta_strand_propensity: 5>}})¶
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattr__
(self, str) → object¶
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__module__
= 'schrodinger.protein.annotation'¶
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
__weakref__
¶ list of weak references to the object (if defined)
-
antibody_cdr
¶
-
b_factor
¶
-
beta_strand_propensity
¶
-
binding_sites
¶
-
blockSignals
(self, bool) → bool¶
-
childEvent
(self, QChildEvent)¶
-
children
(self) → object¶
-
connectNotify
(self, QMetaMethod)¶
-
customEvent
(self, QEvent)¶
-
deleteLater
(self)¶
-
destroyed
¶ destroyed(self, QObject = None) [signal]
-
disconnect
(self)¶
-
disconnectNotify
(self, QMetaMethod)¶
-
disulfide_bonds
¶
-
dumpObjectInfo
(self)¶
-
dumpObjectTree
(self)¶
-
dynamicPropertyNames
(self) → object¶
-
event
(self, QEvent) → bool¶
-
eventFilter
(self, QObject, QEvent) → bool¶
-
exposure_tendency
¶
-
findChild
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → QObject¶ findChild(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> QObject
-
findChildren
(self, type, name: str = '', options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) → List[QObject]¶ findChildren(self, Tuple, name: str = ‘’, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegExp, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, type, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject] findChildren(self, Tuple, QRegularExpression, options: Union[Qt.FindChildOptions, Qt.FindChildOption] = Qt.FindChildrenRecursively) -> List[QObject]
-
helix_propensity
¶
-
helix_termination_tendency
¶
-
hydrophobicity
¶
-
inherits
(self, str) → bool¶
-
installEventFilter
(self, QObject)¶
-
isSignalConnected
(self, QMetaMethod) → bool¶
-
isWidgetType
(self) → bool¶
-
isWindowType
(self) → bool¶
-
isoelectric_point
¶
-
killTimer
(self, int)¶
-
metaObject
(self) → QMetaObject¶
-
moveToThread
(self, QThread)¶
-
objectName
(self) → str¶
-
objectNameChanged
¶ objectNameChanged(self, str) [signal]
-
parent
(self) → QObject¶
-
property
(self, str) → Any¶
-
pyqtConfigure
(...)¶ Each keyword argument is either the name of a Qt property or a Qt signal. For properties the property is set to the given value which should be of an appropriate type. For signals the signal is connected to the given value which should be a callable.
-
receivers
(self, PYQT_SIGNAL) → int¶
-
removeEventFilter
(self, QObject)¶
-
rescode
¶
-
resnum
¶
-
sasa
¶
-
secondary_structure
¶
-
sender
(self) → QObject¶
-
senderSignalIndex
(self) → int¶
-
setObjectName
(self, str)¶
-
setParent
(self, QObject)¶
-
setProperty
(self, str, Any) → bool¶
-
side_chain_chem
¶
-
signalsBlocked
(self) → bool¶
-
startTimer
(self, int, timerType: Qt.TimerType = Qt.CoarseTimer) → int¶
-
staticMetaObject
= <PyQt5.QtCore.QMetaObject object>¶
-
steric_group
¶
-
thread
(self) → QThread¶
-
timerEvent
(self, QTimerEvent)¶
-
titleChanged
¶
-
tr
(self, str, disambiguation: str = None, n: int = -1) → str¶
-
turn_propensity
¶
-
window_hydrophobicity
¶
-
window_isoelectric_point
¶
-
sequence
¶ A descriptor for an instance attribute that should be stored as a weakref. Unlike weakref.proxy, this descriptor allows the attribute to be hashed.
Note that the weakref is stored on the instance using the same name as the descriptor (which is stored on the class). Since this descriptor implements __set__, it will always take precedence over the value stored on the instance.
-
__init__
(seq)¶ Parameters: seq (sequence.CombinedChainProteinSequence) – The sequence to store annotations for.
-
getAntibodyCDR
(col, scheme)¶ Returns the antibody CDR information of the col’th index in the sequence under a given antibody CDR numbering scheme.
Parameters: - col (int) – index into the sequence
- scheme (
AntibodyCDRScheme
) – The antibody CDR numbering scheme to use
Returns: Antibody CDR label, start, and end positions
Return type: AntibodyCDR
, which is a named tuple of (AntibodyCDRLabel
, int, int) if col is in a CDR, otherwise (AntibodyCDRLabel.NotCDR, None, None)
-
getAntibodyCDRs
(scheme)¶ Returns a list of antibody CDR information for the entire sequence.
Parameters: scheme (AntibodyCDRScheme) – The antibody CDR numbering scheme to use Returns: A list of Antibody CDR labels, starts, and end positions Return type: list(AntibodyCDR)
-
isAntibodyChain
()¶ Returns: Whether the sequence described is an antibody chain Return type: bool
-
class