geom | |
Axis | |
AlignedCuboid | Axis-aligned cuboid |
Line2 | Line2 |
Rectangle2 | |
Polygon2 | |
Ellipse2 | |
Hyperbola2 | |
Circle2 | |
Line3 | Line3 |
Plane | |
Sphere | |
CuboidAxis | Cuboid axis defined by a normalized direction vector and a half extent |
Cuboid | Arbitrary oriented bounding cuboid |
Rotation3 | |
GeomException | |
DivideByZeroException | |
OutOfRangeException | |
VectorAdditions | |
Mat2 | |
Mat3 | |
Mat4 | |
PointCloud | |
PointCloudManager | |
Quat | Unit quaternion |
Transform | Basic and essential transformation class, including translation, rotation and center of rotation |
Vec2 | |
Vec3 | Three dimensional vector class, using Real precision |
Vec3List | |
Vec4 | |
OpenMM | |
ost | |
bindings | |
align_3dcomb | |
blast | |
AlignedPatch | |
BlastHit | |
BlastError | |
cadscore | |
CADResult | |
clustalw | |
dssp | |
hbplus | |
HBond | |
hhblits | |
HHblitsHit | |
HHblitsHeader | |
HHblits | |
ialign | |
iAlignResult | |
kclust | |
cluster | |
lga | |
GDTResult | |
msms | |
MsmsProcessError | |
naccess | |
tmtools | |
MMAlignResult | |
TMScoreResult | |
utils | |
TempDirWithFiles | |
TMAlignResult | |
conop | |
cleanup | |
AminoAcidSetIterator | |
AminoAcidSet | Amino acid bit set |
Date | |
AtomSpec | |
BondSpec | |
Compound | Knows about the atoms and bonds of a chemical compounds |
CompoundLib | |
CompoundLibBase | |
Conopology | |
Diag | |
DiagError | |
Diagnostics | |
HeuristicProcessor | |
MinimalCompoundLib | |
Checker | |
Processor | |
RingFinder | Class for finding rings in an entity |
RuleBasedProcessor | |
db | |
LinearCharacterContainer | |
LinearPositionContainer | |
AssemblyInfo | |
LinearIndexer | |
PagedArray | |
PreparedStatement | |
DatabaseError | |
RowSet | Row set iterator |
Database | SQLite database handle |
geom | |
gfx | |
img | |
alg | |
MirrorFnc | |
ShiftFnc | |
TransformFnc | |
AnisotropicFilter | |
AutoCorrelateFnc | |
ConjFnc | |
ExplicitConvoluteFnc | |
ExplicitCorrelateFnc | |
CrossCorrelate | |
SliceFnc | |
DFT | |
DiscreteShrinkFnc | Shrink image by integral amount |
FFTException | |
FFTFnc | |
LowPassFilter | Low Pass Filter |
HighPassFilter | High Pass Filter |
GaussianLowPassFilter | Gaussian Low Pass Filter |
GaussianHighPassFilter | Gaussian High Pass Filter |
FermiLowPassFilter | Fermi Low Pass Filter |
FermiHighPassFilter | Fermi High Pass Filter |
ButterworthLowPassFilter | Butterworth Low Pass Filter |
ButterworthHighPassFilter | Butterworth High Pass Filter |
FractionalShift | |
GaussianFilterBase | Gaussian Filter |
GaussianGradientMagnitudeFilterBase | First Derivative Gaussian Filter |
GaussianLaplacianFilterBase | Gaussian Filter |
HighestPeakSearch3DBase | |
HistogramError | |
HistogramBase | |
LineAverageBase | Computes mean value of columns or lines |
LineIterator | Line iterator generator |
LocalSigmaThresholdBase | |
MaskImageBase | |
LinearNormalizer | Linear normalization |
LinearRangeNormalizer | |
LogNormalizer | Log normalization |
LogRangeNormalizer | |
TransmissionToODNormalizer | |
Normalizer | |
Polar | |
EllipticPolar | |
Cartesian | |
PowerSpectrumFnc | |
RandomizeFnc | |
SmoothMaskImageBase | |
StatBase | |
StatAccumulator | |
StatMinMaxBase | |
CosFnc | |
ExpFnc | |
LogFnc | |
Log10Fnc | |
SinFnc | |
SqrtFnc | |
TanFnc | |
PowFnc | |
Transformation | Transformation base class |
Rotate2D | Rotate in XY plane |
Rotate2D90 | Rotate 90 degree CW in XY plane |
Scale | Apply scale |
Translate | Apply translation |
detail | |
PasteFnc | |
image_state | |
dispatch | |
unary_dispatch_ip | In-place unary dispatch |
unary_dispatch_op | Out-of-place unary dispatch |
binary_dispatch_ip | In-place binary dispatch |
binary_dispatch_op | Out-of-place binary dispatch |
DispatchException | |
ImageStateImpl | |
ImageStateNonModAlgorithm | Non-modifying image state visitor plus non-mod algorithm |
ImageStateModIPAlgorithm | In-place modifying image state visitor plus ip algorithm |
ImageStateConstModIPAlgorithm | In-place modifying image state const visitor plus ip algorithm |
ImageStateModOPAlgorithm | Out-of-place modifying image state visitor plus op algorithm |
ImageStateConstModOPAlgorithm | Out-of-place modifying image state const visitor plus op algorithm |
ImageStateMorphAlgorithm | Morph visitor plus ip algorithm |
ImageStateBase | |
FrequencyDomain | |
HalfFrequencyDomain | |
SpatialDomain | |
InvalidImageStateVisitor | ImageStateVisitor general exception |
ImageStateNonModVisitorBase | Non-modifying image state visitor base class |
ImageStateNonModVisitor | Non-modifying image state visitor |
ImageStateModIPVisitorBase | In-place modifying image state visitor base class |
ImageStateModIPVisitor | In-place modifying image state visitor |
ImageStateConstModIPVisitorBase | In-place modifying image state const visitor base class |
ImageStateConstModIPVisitor | In-place modifying image state visitor |
ImageStateModOPVisitorBase | Out-of-place modifying image state visitor base class |
ImageStateModOPVisitor | Out-of-place modifying image state visitor |
ImageStateConstModOPVisitorBase | Out-of-place modifying image state const visitor base class |
ImageStateConstModOPVisitor | Out-of-place modifying image state visitor |
ImageStateMorphVisitorBase | Morphing image state visitor base class |
ImageStateMorphVisitor | Morphing image state visitor |
Index | |
IndexIterator | |
ValueHolder | |
physics | |
detail | |
quantity | |
multiply_dimensions | |
divide_dimensions | |
Scalar | |
util | |
CircleMask | |
OpBase | |
AndOp | |
OrOp | |
XorOp | |
CompositeMask | |
ConstData | Abstract base class for read-only data |
Data | Abstract base class for data |
AlgorithmBase | Algorithm base class |
NonModAlgorithm | Non-modifying Algorithm, abstract base class |
ModIPAlgorithm | In-place modification algorithm |
ConstModIPAlgorithm | In-place modification const algorithm |
ModOPAlgorithm | Out-of-place modification algorithm |
ConstModOPAlgorithm | Out-of-place modification const algorithm |
InvalidObserver | |
DataObserver | Abstract base class of data observer |
InvalidExtentException | |
Extent | Defines lower and upper valid indices |
ExtentIterator | Extent iterator |
ExtentMask | |
InvalidImageHandle | Exception thrown upon invalid image handle usage |
ImageHandle | Manage shared instances of images |
ConstImageHandle | Read-only ImageHandle implementation |
ImageList | Manages a collection of images |
InvertedMask | |
MaskBase | |
MaskVisitor | |
NormalizeFnc | Abstract normalizer base class |
NormalizerImpl | |
NoOpNormalizer | |
RangeHandler | |
NullData | Null data singleton |
Observable | Templated observable class |
Peak | |
Phase | Manages phases og Complex numbers |
InvalidSampling | |
PixelSampling | Helper class to handle pixel sampling |
Point | Class encapsulating 1D to 3D point |
PointList | List of points |
PolygonMask | |
Progress | |
RasterImage | Generic raster image |
Pixel | Single pixel spec |
Size | Class encapsulating 1D to 3D size |
SphericalMask | |
io | |
detail | |
SerializeWriteHelper | |
SerializeWriteHelper< false, T > | |
SerializeWriteHelper< true, T > | |
SerializeHelper | |
SerializeHelper< false, T > | |
SerializeHelper< true, T > | |
tiff_warning_handler_wrapper | |
complexint32 | |
complexint16 | |
complexint8 | |
fmt | |
LPadded | |
RPadded | |
LPaddedInt | |
LPaddedFloat | |
jpk_tags | |
remote | |
RemoteRepository | |
repository | |
ModelRepository | |
BinaryDataSink | |
BinaryDataSource | |
ChemdictParser | |
ClustalIOHandler | |
Convert | |
BinaryOStream | |
BinaryIStream | |
CRDReader | CHARMM coordinate file import |
CRDWriter | CHARMM coordinate file export |
EntityIOCRDHandler | |
EntityIOHandler | Pure abstract base class for entity io handlers |
EntityIOHandlerFactoryBase | Pure abstract base class for creation of a specfic entity io handle |
EntityIOHandlerFactory | |
MAEReader | |
EntityIOMAEHandler | |
EntityIOMMCIFHandler | |
EntityIOPDBHandler | |
PQRReader | CHARMM coordinate file import |
PQRWriter | CHARMM coordinate file export |
EntityIOPQRHandler | |
EntityIOSDFHandler | |
FastaIOHandler | |
LineSlice | |
FormattedLine | |
HhmIOHandler | |
ImageFormatBase | |
UndefinedImageFormat | |
DAT | |
MapIODatHandler | |
DF3 | |
DF3MapIOHandler | |
DM3 | |
MapIODm3Handler | |
DX | |
MapIODxHandler | |
MapIOHandler | |
MapIOHandlerFactoryBase | |
MapIOHandlerFactory | |
IPL | |
MapIOIPLHandler | |
JPK | |
MapIOJpkHandler | |
MRC | |
CCP4 | |
MapIOMrcHandler | |
Nanoscope | |
MapIONanoscopeHandler | |
PNG | |
MapIOPngHandler | |
Situs | |
MapIOSitusHandler | |
Spider | |
MapIOSpiHandler | |
TIF | |
MapIOTiffHandler | |
IOException | |
IOUnknownFormatException | |
IOFileAlreadyLoadedException | |
IOManager | Central registry for input/output handlers |
IOProfile | |
IOProfileRegistry | |
MMCifInfoStructDetails | |
MMCifInfoTransOp | |
MMCifInfoBioUnit | |
MMCifInfoCitation | |
MMCifInfoObsolete | Container class for information on obsolete entries |
MMCifInfoRevisions | Container class for information on file revisions See Python doc |
MMCifInfoStructRef | |
MMCifInfoStructRefSeq | |
MMCifInfoStructRefSeqDif | |
MMCifInfo | Container class for additional information from MMCif files |
MMCifReader | Reader for the mmcif file format |
PDBReader | |
PDBWriter | |
SDFReader | |
SDFWriter | |
StarDataItem | |
StarLoopDesc | |
StarParser | Parser for the STAR file format |
SurfaceIOHandler | |
SurfaceIOHandlerFactoryBase | |
SurfaceIOHandlerFactory | |
SurfaceIOMSMSHandler | |
PirIOHandler | |
ProfileIOHandler | Pure abstract base class for profile io handlers |
ProfileIOHandlerFactoryBase | Pure abstract base class for creation of a specfic io handler |
ProfileIOHandlerFactory | |
PromodIOHandler | |
PssmIOHandler | |
SequenceIOHandler | Pure abstract base class for entity io handlers |
SequenceIOHandlerFactoryBase | Pure abstract base class for creation of a specfic alignment io handler |
SequenceIOHandlerFactory | |
IOProfiles | |
mol | |
alg | |
hbond | |
HBondableAtoms | |
HBondDonor | |
HBondAcceptor | |
HBond | |
helix_kinks | |
qsscoring | |
QSscoreError | QS scoring |
QSscorer | |
QSscoreEntity | |
OligoLDDTScorer | Oligo-lDDT scores |
MappedLDDTScorer | |
_CachedRMSD | |
structure_analysis | |
superpose | |
trajectory_analysis | |
views | |
NACCESSAccessibilityParam | |
DSSPAccessibilityParam | |
OverlapResult | |
AdjacencyBitmap | |
Contact | |
LDT | |
DistanceMatrix | |
UniqueAtomIdentifier | Contains the infomation needed to uniquely identify an atom in a structure |
Domain | |
Domains | |
BondLengthInfo | |
ClashEvent | |
ClashingInfo | |
StereoChemicalBondViolation | |
StereoChemicalAngleViolation | |
StereoChemistryInfo | |
ClashingDistances | List of reference atom-atom distances to detect clashes between non-bonded atoms |
StereoChemicalParams | List of stereo chemical parameters (Bonds and angles) |
FindMemParam | |
StereoChemicalProps | |
lDDTSettings | |
lDDTLocalScore | |
lDDTScorer | |
MolckSettings | |
PDBize | |
SecStructureSegment | Consecutive secondary structure element |
SimilarityMatrix | |
SuperpositionResult | Stores the number of cycles and the two final EntityViews (in case IterativeSuperposition was applied), the root mean square deviation of the two superposed objects and the transformation matrix (geom::Mat4) to superpose input1 onto input2 |
MeanSquareMinimizer | |
impl | |
tok | |
AtomGroupEntry | |
AtomGroup | |
AtomImpl | Atom implementation |
AtomProp | |
ChainImpl | |
ConnectorImpl | |
Dihedral | Low level dihedral implementation |
EntityImpl | |
FragmentImpl | |
pointer_it | |
WithinParam | |
StringOrRegexParam | |
Node | |
LogicOPNode | |
SelNode | |
QueryToken | |
QueryLexer | |
SelStmt | |
SelItem | |
GenProp | Struct to store info about GenericProperties parsed from the |
QueryImpl | Query statement implementation |
ResidueImpl | |
SurfaceImpl | |
TorsionImpl | |
mm | |
antechamber | |
impl | |
IndexBase | |
HydrogenConstructor | |
TerminiConstructor | |
BlockModifier | |
BuildingBlock | |
DensityForce | |
DensityForceImpl | |
CalcDensityForceKernel | |
GromacsData | |
CHARMMData | |
MMPreprocessor | |
FFReader | |
ResidueNames | |
Forcefield | |
GromacsPositionRuleEvaluator | |
GromacsHydrogenConstructor | |
GromacsBlockModifier | |
HeuristicHydrogenConstructor | |
HeuristicBlockModifier | |
Index | |
Index< 1 > | |
Index< 2 > | |
Index< 3 > | |
Index< 4 > | |
Index< 5 > | |
Index< 6 > | |
Index< 7 > | |
IndexIterator | |
Interaction | |
Modeller | |
Observer | |
TrajObserver | |
TrajWriter | |
ReferenceDensityKernelFactory | |
ReferenceCalcDensityForceKernel | |
TerminiExceptions | |
Settings | |
Simulation | |
StateExtractor | |
Steep | |
SystemCreator | |
Topology | |
TopologyCreator | |
AtomBase | Base class for AtomHandle and AtomView |
AtomHandle | Handle to atom datatype |
AtomView | Definition of AtomView |
BondHandle | Chemical bond |
BondTableEntry | |
BondTable | |
Builder | |
ChainBase | Base class for ChainHandle and ChainView |
ChainHandle | Linear chain of residues |
ChainView | Definition of ChainView |
ChemClass | |
ChemType | |
CoordFrame | |
CoordGroupHandle | Coordinate group, for trajectories and such |
CoordSource | Coordinate source |
EditorBase | Base class for entity editors |
EntityBase | Definition of EntityBase |
EntityHandle | Protein or molecule |
EntityObserver | |
EntityPropertyMapper | |
EntityView | Definition of EntityView |
EntityVisitor | EntityVisitor interface |
EntityViewVisitor | EntityViewVisitor interface |
ICSEditor | Editor for internal molecule coordinates |
InMemCoordSource | In-memory coordinate source |
NotConnectedError | Error to indicate that two atoms that are supposed to be connected are not |
Prop | |
PropertyError | |
QueryFlag | Query flags |
Query | Selection Query |
QueryErrorDesc | |
QueryError | |
QueryState | Holds state used during query evaluation |
QueryViewWrapper | |
ResidueBase | Base class for ResidueHandle and ResidueView |
ResidueHandle | Residue handle |
ResNum | |
ResidueView | Residue view |
SecStructure | Secondary structure types as defined by DSSP. For convenience, the enum values match the characters used in the DSP file format |
SpatialOrganizer | Spatial organizer |
SurfaceHandle | |
SurfaceVertex | |
SurfaceTri | |
TorsionHandle | Named torsion (dihedral) angle |
ViewAddFlag | Flags to control the behaviour when adding handles to views |
XCSEditor | External coordinate system editor |
ost_startup | |
OstOptionParser | |
seq | |
alg | |
mat | |
renumber | |
AlignmentOpts | Options for local and global sequence alignment algorithms |
ContactPredictionScoreResult | |
ContactWeightMatrix | Matrix to weight pairs of amino-acids |
Distances | Container for a pair wise distance for each structure. Each structure is identified by its index in the originally used alignment |
DistanceMap | |
InsDel | Get insertions and deletions of an alignment |
PairSubstWeightMatrix | Position-independet pair substitution weight matrix |
RefMode | |
SubstWeightMatrix | Position-independet substitution weight matrix |
VarianceMap | Container for variances for each entry in a distance map. Main functionality: Get/Set, Min, Max, ExportXXX Get/Set and GetSize taken from TriMatrix |
Dist2Mean | Container for distances to mean for N structures. Main functionality: Get/Set, ExportXXX |
impl | |
SequenceImpl | |
SequenceListImpl | |
SequenceListIterator | |
AlignedColumn | Provides access to a column in a aligned region or a sequence alignment |
AlignedColumnIterator | |
AlignedRegion | Region in a sequence alignment |
AlignmentHandle | Representation of a multiple sequence alignemnt consisting of two or more sequences |
InvalidSequence | |
InvalidAlignment | |
ProfileColumn | Defines profile of 20 frequencies for one residue |
ProfileHandle | Provides a profile for a sequence |
ProfileDB | Contains a DB of profiles (identified by a unique name (String)) |
ConstSequenceHandle | Immutable sequence |
SequenceHandle | Mutable sequence handle |
ConstSequenceList | List of immutable sequences |
SequenceList | List of sequences |
settings | |
FileNotFound | |
stutil | |
table | |
BinaryColExpr | |
TableCol | |
TableRow | |
Table | |
table_selector | |
TableSelector | |
testutils | |
xmlrunner | |
_TestInfo | |
_XMLTestResult | |
XMLTestRunner | |
_fake_std_streams | |
XMLTestRunnerTest | |
NullStream | |
PairToTupleConverter | Helper to convert between python tuple and std::pair |
VectorToListConverter | Helper to convert between python list tuple and std::vecot |
FixedString | String class that uses an array of static size to hold the characters |
GenericPropError | |
GenericPropContainerImpl | Base class for the implementation |
ConstGenericPropContainer | |
GenericPropContainer | Base class for the handler classes |
IntegrityError | |
InvalidHandle | Signals access of member functions of invalid handles |
Logger | |
LogSink | |
StreamLogSink | |
StringLogSink | |
FileLogSink | |
MultiLogSink | |
Error | |
PodVector | Vector container that treats its data as POD - even if it isn't in the strict sense |
Profile | |
Range | |
StringRef | Convenient datatype for referencing character data |
TriMatrix | Triangular matrix template |
Units | |
test_image | |
value_holder_test | |
circular_iter | |
const_circular_iter | |
InvalidatedPointer | |
PtrObserver | |
types | Structure |
types | Structure |