Package schrodinger :: Package infra :: Module _structure

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Module _structure

Functions

[hide private]

AtomQueryParams_getAcceptorAtomicNumbers(...)

AtomQueryParams_getDonorAlphaAtomicNumbers(...)

AtomQueryParams_getDonorAtomicNumbers(...)

AtomQueryParams_getElementRestrictions(...)

AtomQueryParams_getMaximumAcceptorAngle(...)

AtomQueryParams_getMaximumDistance(...)

AtomQueryParams_getMinimumAcceptorAngle(...)

AtomQueryParams_getMinimumDonorAngle(...)

AtomQueryParams_setMaximumAcceptorAngle(...)

AtomQueryParams_setMaximumDistance(...)

AtomQueryParams_setMinimumAcceptorAngle(...)

AtomQueryParams_setMinimumDonorAngle(...)

AtomQueryParams_swiginit(...)

AtomQueryParams_swigregister(...)

DistanceCell_getCt(...)

DistanceCell_query(...)

DistanceCell_swiginit(...)

DistanceCell_swigregister(...)

InteractionAtomPair_getAcceptor(...)

InteractionAtomPair_getDonor(...)

InteractionAtomPair_swiginit(...)

InteractionAtomPair_swigregister(...)

MaestroReader_readFromOffset(...)

MaestroReader_swiginit(...)

MaestroReader_swigregister(...)

Mol2Reader_swiginit(...)

Mol2Reader_swigregister(...)

PBC_swiginit(...)

PBC_swigregister(...)

PdbReader_swiginit(...)

PdbReader_swigregister(...)

PiCationInteraction_getCation(...)

PiCationInteraction_getRing(...)

PiCationInteraction_swiginit(...)

PiCationInteraction_swigregister(...)

PiCationParams_getMaximumAngle(...)

PiCationParams_getMaximumDistance(...)

PiCationParams_setMaximumAngle(...)

PiCationParams_setMaximumDistance(...)

PiCationParams_swiginit(...)

PiCationParams_swigregister(...)

PiPiInteraction_getRing1(...)

PiPiInteraction_getRing2(...)

PiPiInteraction_isEdgeToFace(...)

PiPiInteraction_isFaceToFace(...)

PiPiInteraction_swiginit(...)

PiPiInteraction_swigregister(...)

PiPiParams_getEdgeToFaceMaximumDistance(...)

PiPiParams_getEdgeToFaceMinimumAngle(...)

PiPiParams_getFaceToFaceMaximumAngle(...)

PiPiParams_getFaceToFaceMaximumDistance(...)

PiPiParams_setEdgeToFaceMaximumDistance(...)

PiPiParams_setEdgeToFaceMinimumAngle(...)

PiPiParams_setFaceToFaceMaximumAngle(...)

PiPiParams_setFaceToFaceMaximumDistance(...)

PiPiParams_swiginit(...)

PiPiParams_swigregister(...)

ProjectReader_readFromIndex(...)

ProjectReader_readNext(...)

ProjectReader_swiginit(...)

ProjectReader_swigregister(...)

SWIG_PyInstanceMethod_New(...)

SdReader_swiginit(...)

SdReader_swigregister(...)

StructureAtom___eq__(...)

StructureAtom_chirality(...)

StructureAtom_getIndex(...)

StructureAtom_isValid(...)

StructureAtom_swigregister(...)

StructureAtom_x(...)

StructureAtom_y(...)

StructureAtom_z(...)

StructureFileReader_getFilename(...)

StructureFileReader_readFromIndex(...)

StructureFileReader_readNext(...)

StructureFileReader_swigregister(...)

StructureIterator___add__(...)

StructureIterator___eq__(...)

StructureIterator___iadd__(...)

StructureIterator___ne__(...)

StructureIterator___ref__(...)

StructureIterator_setOwnership(...)

StructureIterator_swiginit(...)

StructureIterator_swigregister(...)

StructureReaderException_err_no(...)

StructureReaderException_isEOF(...)

StructureReaderException_swiginit(...)

StructureReaderException_swigregister(...)

StructureReaderException_what(...)

StructureReader_begin(...)

StructureReader_end(...)

StructureReader_swigregister(...)

StructureRing_getAtoms(...)

StructureRing_getCenterX(...)

StructureRing_getCenterY(...)

StructureRing_getCenterZ(...)

StructureRing_isAromatic(...)

StructureRing_swiginit(...)

StructureRing_swigregister(...)

Structure_deleteAtom(...)

Structure_getAtom(...)

Structure_getHandle(...)

Structure_getPropertyNames(...)

Structure_getStringProperty(...)

Structure_getTitle(...)

Structure_get_structure(...)

Structure_releaseOwnership(...)

Structure_setTitle(...)

Structure_swigregister(...)

SwigAtomList___bool__(...)

SwigAtomList___delitem__(...)

SwigAtomList___delslice__(...)

SwigAtomList___getitem__(...)

SwigAtomList___getslice__(...)

SwigAtomList___len__(...)

SwigAtomList___nonzero__(...)

SwigAtomList___setitem__(...)

SwigAtomList___setslice__(...)

SwigAtomList_append(...)

SwigAtomList_assign(...)

SwigAtomList_back(...)

SwigAtomList_begin(...)

SwigAtomList_capacity(...)

SwigAtomList_clear(...)

SwigAtomList_empty(...)

SwigAtomList_end(...)

SwigAtomList_erase(...)

SwigAtomList_front(...)

SwigAtomList_get_allocator(...)

SwigAtomList_insert(...)

SwigAtomList_iterator(...)

SwigAtomList_pop(...)

SwigAtomList_pop_back(...)

SwigAtomList_push_back(...)

SwigAtomList_rbegin(...)

SwigAtomList_rend(...)

SwigAtomList_reserve(...)

SwigAtomList_resize(...)

SwigAtomList_size(...)

SwigAtomList_swap(...)

SwigAtomList_swiginit(...)

SwigAtomList_swigregister(...)

SwigAtomPairLists___bool__(...)

SwigAtomPairLists___delitem__(...)

SwigAtomPairLists___delslice__(...)

SwigAtomPairLists___getitem__(...)

SwigAtomPairLists___getslice__(...)

SwigAtomPairLists___len__(...)

SwigAtomPairLists___nonzero__(...)

SwigAtomPairLists___setitem__(...)

SwigAtomPairLists___setslice__(...)

SwigAtomPairLists_append(...)

SwigAtomPairLists_assign(...)

SwigAtomPairLists_back(...)

SwigAtomPairLists_begin(...)

SwigAtomPairLists_capacity(...)

SwigAtomPairLists_clear(...)

SwigAtomPairLists_empty(...)

SwigAtomPairLists_end(...)

SwigAtomPairLists_erase(...)

SwigAtomPairLists_front(...)

SwigAtomPairLists_get_allocator(...)

SwigAtomPairLists_insert(...)

SwigAtomPairLists_iterator(...)

SwigAtomPairLists_pop(...)

SwigAtomPairLists_pop_back(...)

SwigAtomPairLists_push_back(...)

SwigAtomPairLists_rbegin(...)

SwigAtomPairLists_rend(...)

SwigAtomPairLists_reserve(...)

SwigAtomPairLists_resize(...)

SwigAtomPairLists_size(...)

SwigAtomPairLists_swap(...)

SwigAtomPairLists_swiginit(...)

SwigAtomPairLists_swigregister(...)

SwigAtomQueryParamsList___bool__(...)

SwigAtomQueryParamsList___delitem__(...)

SwigAtomQueryParamsList___delslice__(...)

SwigAtomQueryParamsList___getitem__(...)

SwigAtomQueryParamsList___getslice__(...)

SwigAtomQueryParamsList___len__(...)

SwigAtomQueryParamsList___nonzero__(...)

SwigAtomQueryParamsList___setitem__(...)

SwigAtomQueryParamsList___setslice__(...)

SwigAtomQueryParamsList_append(...)

SwigAtomQueryParamsList_assign(...)

SwigAtomQueryParamsList_back(...)

SwigAtomQueryParamsList_begin(...)

SwigAtomQueryParamsList_capacity(...)

SwigAtomQueryParamsList_clear(...)

SwigAtomQueryParamsList_empty(...)

SwigAtomQueryParamsList_end(...)

SwigAtomQueryParamsList_erase(...)

SwigAtomQueryParamsList_front(...)

SwigAtomQueryParamsList_get_allocator(...)

SwigAtomQueryParamsList_insert(...)

SwigAtomQueryParamsList_iterator(...)

SwigAtomQueryParamsList_pop(...)

SwigAtomQueryParamsList_pop_back(...)

SwigAtomQueryParamsList_push_back(...)

SwigAtomQueryParamsList_rbegin(...)

SwigAtomQueryParamsList_rend(...)

SwigAtomQueryParamsList_reserve(...)

SwigAtomQueryParamsList_resize(...)

SwigAtomQueryParamsList_size(...)

SwigAtomQueryParamsList_swap(...)

SwigAtomQueryParamsList_swiginit(...)

SwigAtomQueryParamsList_swigregister(...)

SwigPiCationLists___bool__(...)

SwigPiCationLists___delitem__(...)

SwigPiCationLists___delslice__(...)

SwigPiCationLists___getitem__(...)

SwigPiCationLists___getslice__(...)

SwigPiCationLists___len__(...)

SwigPiCationLists___nonzero__(...)

SwigPiCationLists___setitem__(...)

SwigPiCationLists___setslice__(...)

SwigPiCationLists_append(...)

SwigPiCationLists_assign(...)

SwigPiCationLists_back(...)

SwigPiCationLists_begin(...)

SwigPiCationLists_capacity(...)

SwigPiCationLists_clear(...)

SwigPiCationLists_empty(...)

SwigPiCationLists_end(...)

SwigPiCationLists_erase(...)

SwigPiCationLists_front(...)

SwigPiCationLists_get_allocator(...)

SwigPiCationLists_insert(...)

SwigPiCationLists_iterator(...)

SwigPiCationLists_pop(...)

SwigPiCationLists_pop_back(...)

SwigPiCationLists_push_back(...)

SwigPiCationLists_rbegin(...)

SwigPiCationLists_rend(...)

SwigPiCationLists_reserve(...)

SwigPiCationLists_resize(...)

SwigPiCationLists_size(...)

SwigPiCationLists_swap(...)

SwigPiCationLists_swiginit(...)

SwigPiCationLists_swigregister(...)

SwigPiPiLists___bool__(...)

SwigPiPiLists___delitem__(...)

SwigPiPiLists___delslice__(...)

SwigPiPiLists___getitem__(...)

SwigPiPiLists___getslice__(...)

SwigPiPiLists___len__(...)

SwigPiPiLists___nonzero__(...)

SwigPiPiLists___setitem__(...)

SwigPiPiLists___setslice__(...)

SwigPiPiLists_append(...)

SwigPiPiLists_assign(...)

SwigPiPiLists_back(...)

SwigPiPiLists_begin(...)

SwigPiPiLists_capacity(...)

SwigPiPiLists_clear(...)

SwigPiPiLists_empty(...)

SwigPiPiLists_end(...)

SwigPiPiLists_erase(...)

SwigPiPiLists_front(...)

SwigPiPiLists_get_allocator(...)

SwigPiPiLists_insert(...)

SwigPiPiLists_iterator(...)

SwigPiPiLists_pop(...)

SwigPiPiLists_pop_back(...)

SwigPiPiLists_push_back(...)

SwigPiPiLists_rbegin(...)

SwigPiPiLists_rend(...)

SwigPiPiLists_reserve(...)

SwigPiPiLists_resize(...)

SwigPiPiLists_size(...)

SwigPiPiLists_swap(...)

SwigPiPiLists_swiginit(...)

SwigPiPiLists_swigregister(...)

SwigPyIterator___add__(...)

SwigPyIterator___eq__(...)

SwigPyIterator___iadd__(...)

SwigPyIterator___isub__(...)

SwigPyIterator___ne__(...)

SwigPyIterator___next__(...)

SwigPyIterator___sub__(...)

SwigPyIterator_advance(...)

SwigPyIterator_copy(...)

SwigPyIterator_decr(...)

SwigPyIterator_distance(...)

SwigPyIterator_equal(...)

SwigPyIterator_incr(...)

SwigPyIterator_next(...)

SwigPyIterator_previous(...)

SwigPyIterator_swigregister(...)

SwigPyIterator_value(...)

SwigRingList___bool__(...)

SwigRingList___delitem__(...)

SwigRingList___delslice__(...)

SwigRingList___getitem__(...)

SwigRingList___getslice__(...)

SwigRingList___len__(...)

SwigRingList___nonzero__(...)

SwigRingList___setitem__(...)

SwigRingList___setslice__(...)

SwigRingList_append(...)

SwigRingList_assign(...)

SwigRingList_back(...)

SwigRingList_begin(...)

SwigRingList_capacity(...)

SwigRingList_clear(...)

SwigRingList_empty(...)

SwigRingList_end(...)

SwigRingList_erase(...)

SwigRingList_front(...)

SwigRingList_get_allocator(...)

SwigRingList_insert(...)

SwigRingList_iterator(...)

SwigRingList_pop(...)

SwigRingList_pop_back(...)

SwigRingList_push_back(...)

SwigRingList_rbegin(...)

SwigRingList_rend(...)

SwigRingList_reserve(...)

SwigRingList_resize(...)

SwigRingList_size(...)

SwigRingList_swap(...)

SwigRingList_swiginit(...)

SwigRingList_swigregister(...)

delete_AtomQueryParams(...)

delete_DistanceCell(...)

delete_InteractionAtomPair(...)

delete_MaestroReader(...)

delete_Mol2Reader(...)

delete_PBC(...)

delete_PdbReader(...)

delete_PiCationInteraction(...)

delete_PiCationParams(...)

delete_PiPiInteraction(...)

delete_PiPiParams(...)

delete_ProjectReader(...)

delete_SdReader(...)

delete_Structure(...)

delete_StructureAtom(...)

delete_StructureFileReader(...)

delete_StructureIterator(...)

delete_StructureReader(...)

delete_StructureReaderException(...)

delete_StructureRing(...)

delete_SwigAtomList(...)

delete_SwigAtomPairLists(...)

delete_SwigAtomQueryParamsList(...)

delete_SwigPiCationLists(...)

delete_SwigPiPiLists(...)

delete_SwigPyIterator(...)

delete_SwigRingList(...)

getDistanceCell(...)

getStructureExtension(...)

getStructureFileReader(...)

get_hydrogen_bonds(...)

get_pi_cation_interactions(...)

get_pi_pi_interactions(...)

get_sssr(...)

new_AtomQueryParams(...)

new_DistanceCell(...)

new_InteractionAtomPair(...)

new_MaestroReader(...)

new_Mol2Reader(...)

new_PBC(...)

new_PdbReader(...)

new_PiCationInteraction(...)

new_PiCationParams(...)

new_PiPiInteraction(...)

new_PiPiParams(...)

new_ProjectReader(...)

new_SdReader(...)

new_StructureIterator(...)

new_StructureReaderException(...)

new_StructureRing(...)

new_SwigAtomList(...)

new_SwigAtomPairLists(...)

new_SwigAtomQueryParamsList(...)

new_SwigPiCationLists(...)

new_SwigPiPiLists(...)

new_SwigRingList(...)

Variables

[hide private]

AROMATIC_H_DONOR = 3
hash(x)

BASE_ATOMS = 0
hash(x)

FLUORINE_ACCEPTOR = 2

FLUORINE_DONOR = 1

HALOGEN_ACCEPTOR = 4

HALOGEN_DONOR = 5

ITERATE_ALL = 0
hash(x)

ITERATE_SELECTED = 1

PiPiInteraction_EDGE_TO_FACE = 1

PiPiInteraction_FACE_TO_FACE = 0
hash(x)

SHARED_PTR_DISOWN = 0
hash(x)

StructureAtom_ATOM_ACHIRAL = 0
hash(x)

StructureAtom_ATOM_CHIRAL_ANR = 3
hash(x)

StructureAtom_ATOM_CHIRAL_ANS = 4

StructureAtom_ATOM_CHIRAL_R = 1

StructureAtom_ATOM_CHIRAL_S = 2

_STDINT_H = 1

__package__ = None
hash(x)

cvar = <Swig global variables>