LOOS 4.1.0
The Lightweight Object Oriented Structural analysis library/toolkit
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►Nall_stacking | |
CFullHelp | |
►NClustering | |
CAverageLinkage | |
CClusteringOptions | |
CHAC | |
CKGS | |
►NENM | Namespace to encapsulate Elastic Network Model routines |
CANM | Anisotropic network model |
CBadSpringFunction | Bad spring function was requested |
CBadSpringParameter | Unspecified problem with parameters in SpringFunction |
CBoundSuperBlock | Decorator for switching spring functions based on a matrix of flags |
CConstBonded | Use a spring function that is a constant weight regardless of distance |
CDistanceCutoff | Basic distance cutoff for "traditional" ENM |
CDistanceWeight | Distance weighting (i.e. ) |
CElasticNetworkModel | Interface for all ENMs |
CExponentialDistance | Exponential distance weighting (i.e. ) |
CHCA | HCA method (bimodal distance-based function) |
CSpringFunction | Interface for ENM spring functions |
CSuperBlock | This class creates superblocks in a hessian |
CSuperBlockDecorator | SuperBlock decorator base class |
CUniformSpringFunction | Spring functions that are uniform in all directions (ie return a single value) |
CVSA | Vibrational subsystem analysis ENM |
►Nhierarchical-cluster | |
CFullHelp | |
►Nloos | Namespace for most things not already encapsulated within a class |
►NDensityTools | Namespace for Density package |
CBulkedWaterFilter | Add bulk water back into the mask/map |
CBulkEstimator | |
CDensityGrid | A simple 3D grid class of arbitrary types |
CDensityGridIterator | Random access iterator using the BOOST facade |
CDensityGridPlane | Encapsulates an i,j-plane from an DensityGrid |
CDensityGridRow | Encapsulates a j-row from an DensityGrid |
CNonzeroDensity | Functor that is true for any non-zero density |
CNullEstimator | |
CSimpleMeta | Simple class for handling metadata |
CThreshold | Functor that is true if value is greater than or equal to threshold |
CThresholdRange | Functor that is true if value is between low and hi, inclusive |
CWaterFilterAxis | Pick waters that are within a radius of the principal axis for a molecule |
CWaterFilterBase | Base interface for water filter/picker |
CWaterFilterBlob | Pick waters based on a grid-mask |
CWaterFilterBox | Pick waters inside a bounding box |
CWaterFilterContacts | Pick waters with a minimum number of contacts to protein atoms |
CWaterFilterCore | Pick waters that are within a radius of the core axis for a molecule |
CWaterFilterDecorator | Decorator base class for "decorating" the core water filters.. |
CWaterFilterRadius | Pick waters within a given radius of a group of atoms |
CWaterHistogrammer | |
CXEDMWriter | Functor for writing out ASCII formatted X-Plor electron density maps |
CZClipEstimator | |
CZClippedWaterFilter | Restrict waters to be within a given z-range |
CZSliceEstimator | |
►NHBonds | |
CErrorWithAtom | |
CSimpleAtom | |
►Ninternal | Loos esoterica |
CAction | Base class for all commands.. |
CAtomicNumberDeducer | |
CBackbone | Shortcut for checking for backbone atoms.. |
CBasicMatrixFormatter | |
Cdrop | Drop the top item from the stack |
Cdup | Duplicate the top item on the stack |
Cequals | Test for equality: ARG1 ARG == |
CextractNumber | Extracts a number for a string on the stack using a regular expression: ARG1 regexp(S) |
CgreaterThan | ARG1 ARG2 > |
CgreaterThanEquals | ARG1 ARG2 >= |
CHydrogen | Shortcut for checking for hydrogens.. |
ClessThan | Relation operators...: ARG1 ARG2 < |
ClessThanEquals | ARG1 ARG2 <= |
ClogicalAnd | ARG1 ARG2 && |
ClogicalNot | ARG1 ! |
ClogicalOr | ARG1 ARG2 || |
ClogicalTrue | Always returns true.. |
CmatchRegex | Regular expression matching: ARG1 regexp(S) |
CmatchStringAsRegex | Regular expression matching: ARG1 regexp(ARG2) |
COutputTrajectoryNameBindingType | |
CpushAtomChainId | Push atom's chain ID onto the stack |
CpushAtomId | Push atom id onto the stack |
CpushAtomIndex | Push atom index onto the stack |
CpushAtomName | Push atom name onto the stack |
CpushAtomResid | Push atom's residue id onto the stack |
CpushAtomResname | Push atom'ss residue name onto the stack |
CpushAtomSegid | Push atom's segid onto the stack |
CpushFloat | Push a float onto the data stack |
CpushInt | Push an integer onto the data stack |
CpushString | Push a std::string onto the data stack |
CRangeItem | |
CRangeParser | |
CSystemNameBindingType | |
CTrajectoryNameBindingType | |
CValue | Value class for the LOOS Kernel (virtual machine) |
CValueStack | |
CXDRReader | This class provides some facility for handling XDR data |
CXDRWriter | |
►NMath | Namespace for math and math-related things in loos |
CColMajor | Class for storing a matrix in column-major order |
CMatrix | Simple matrix template class using policy classes to determine behavior |
CRowMajor | Class for storing a matrix in row-major order.. |
CSharedArray | Storage policy for a block of memory wrapped in a boost::shared_array pointer |
CSparseArray | Storage policy for a sparse matrix (see important note in the detailed documentation) |
CTriangular | Class for storing a symmetric triangular matrix |
►NOptionsFramework | Namespace for encapsulating options processing |
CAggregateOptions | Combines a set of OptionsPackages |
CBasicConvergence | |
CBasicOptions | Options common to all tools (including –fullhelp) |
CBasicSelection | Provides a single LOOS selection (–selection) |
CBasicSplitBy | Provides a mechanism for controlling how to split an AtomicGroup |
CBasicTrajectory | Basic trajectory with a –skip option |
CBasicWater | Options specific to tools that work with water/internal-water |
CModelWithCoords | Request a model with coordinates |
CMultiTrajOptions | Multiple trajectories as one trajectory via MultiTrajectory |
COptionsPackage | Base class for options |
COutputPrefix | Gets a string as prefix for output files (–prefix) |
COutputTrajectoryOptions | |
COutputTrajectoryTypeOptions | |
CRequiredArguments | Provides simple way to add command-line arguments (required options) |
CTrajectoryWithFrameIndices | Trajectory with either a –range or –skip |
CTwoModelsWithCoords | Request Two models with coordinates |
CWeightsOptions | |
►Npyloos | |
►NConvexHull | |
CConvexHull | |
CZSliceSelector | |
►NNAMDBin | |
CNAMDBin | |
►Noptions | |
CFullHelper | |
CLoosOptions | |
►NSymmMatrix | |
CSymmMatrix | |
►Ntrajectories | |
CAlignedVirtualTrajectory | A virtual trajectory that supports iterative alignment |
CTrajectory | Python-based wrapper for LOOS Trajectories This class turns a loos Trajectory into something more python-like |
CVirtualTrajectory | Virtual trajectory composed of multiple Trajectory objects This class can combine multiple loos.pyloos.Trajectory objects into one big "virtual" trajectory |
►NVoronoi | |
►NVoronoi | |
CEdge | |
CRegion | |
CSuperRegion | |
CVoronoiError | |
CVoronoiWrapper | |
CZSliceSelector | |
CAbstractObserver | |
CAmber | Class for reading in AMBER parmtop/coord files.. |
CAmberNetcdf | Class for reading Amber Trajectories in NetCDF format |
CAmberRst | Class for reading amber restart files as a single-frame trajectory |
CAmberTraj | Class for reading amber coordinate trajectories |
CAndSelector | Combines two selectors with a logical "and" |
CAscendingSort | Policy class for sorting in ascending sequence |
►CAtom | Basic Atom class for handling atom properties |
CUnsetProperty | DEPRECATED exception class...use loos::UnsetProperty instead |
CAtomCoordsEquals | Compares two atoms based on name, id, resid, resname, segid, and coords |
CAtomEquals | Compares two atoms based solely on name, id, resid, resname, and segid |
►CAtomicGroup | Class for handling groups of Atoms (pAtoms, actually) |
CIterator | Our own simple iterator for stepping over all managed atoms |
CAtomNameSelector | Predicate for selecting atoms based on explicit name matching |
CAtomSelector | Virtual base-class for selecting atoms from a group |
CBackboneSelector | Predicate for selecting backbone |
CBasicProgress | |
CBoundFmt | Internal helper class to bind formatting state |
CCAlphaSelector | Predicate for selecting CA atoms |
CCCPDB | Class for interpreting concatenated PDB files as a Trajectory |
CCHARMM | Class for reading a CHARMM coordinate file |
CCoord | Basic 3-D coordinates class |
►CDCD | Class for reading DCD files |
CEndOfFile | |
CDCDWriter | A very lightweight class for writing simple DCDs |
CDescendingSort | Policy class for sorting in descending sequence |
CEstimatingCounter | A progress counter that can estimate how much time is left |
CFileError | Errors related to File I/O |
CFileOpenError | Error while opening a file |
CFileReadError | Errors that occur while reading a file |
CFileReadErrorWithLine | Errors that occur while reading a text file (where lines are tracked) |
CFileWriteError | Errors while writing to files |
CFmt | Output formatter class, adapted from Stroustrup's book |
CFormFactor | |
CFormFactorSet | |
CGromacs | Implements a GROMACS model file (.gro) |
CHBondDetector | Class for detecting hydrogen bonds |
CHeavyAtomSelector | Select non-hydrogen atoms |
CHeavySolventSelector | Select only heavy solvent atoms |
CHydrogenSelector | Select hydrogen atoms |
CIndexSelector | Predicate for selecting atoms based on index |
CKernel | The Kernel (virtual machine) for compiling and executing user-defined atom selections |
CKernelSelector | Selection predicate that executes a compiled Kernel |
CLineReader | Class for reading line-by-line from a file while tracking line numbers and stripping comments |
CLOOSError | Generic LOOS exception |
CMatrix44 | Specialized 4x4 Matrix class for handling coordinate transforms |
CMatrixReadError | Generic reading error class |
CMatrixReadImpl | |
CMatrixReadImpl< T, Math::Triangular, S > | Special handling for triangular matrices |
CMatrixReadImpl< T, P, Math::SparseArray > | Special handling for sparse matrices |
CMatrixWriteImpl | |
CMatrixWriteImpl< T, Math::Triangular, S, F > | Write out a triangular matrix |
CMatrixWriteImpl< T, P, Math::SparseArray, F > | Write out a sparse matrix |
CMDTraj | Class for reading a MDTraj HDF5 file |
CMDTrajTraj | Class for reading MDTraj HDF5 coordinate trajectories |
CMMCIF | Class to read pdbx/mmcif files |
CMultiTrajectory | Combine multiple trajectories (pTraj's) into one large virtual trajectory |
CNotSelector | Negates a selection predicate |
CNumericalError | Exception caused by a blas/atlas error |
COptionsError | Exception in options |
COrSelector | Combines two selectors with a logical "or" |
CParseError | Exception when parsing input data |
CParser | Front-end to the Bison/Flex parser |
CParserDriver | |
CPDB | PDB reading/writing class |
CPDBTraj | Class for intepreting separate PDB files as a single trajectory |
CPercentProgress | Provide feedback by percent-complete |
CPercentProgressWithTime | |
CPercentTrigger | Trigger whenever at least frac percent more iterations have happened |
CPeriodicBox | Class for managing periodic box information |
CPreciseMatrixFormatter | Generic matrix element formatter allowing setting of width and precision |
CProgressCounter | The progress counter front-end |
CPSF | Class for reading a subset of the PSF format |
CRemarks | Class for handling PDB Remarks |
CResidRangeSelector | Predicate for selecting atoms from a range of resid's |
CRnaSuite | Class for assigning backbone suites to an RNA |
CScientificMatrixFormatter | Generic matrix element formatter using scientific notation.. |
CSegidSelector | Predicate for selecting atoms based on the passed segid string |
CSharedPeriodicBox | This class manages a shared Periodicbox |
CSimpleCounter | Basic progress counter object, defining the interface.. |
CSolventSelector | Predicate for selecting solvent based on common solvent SEGIDs |
CStreamWrapper | Simple wrapper class for caching stream pointers |
CTimer | Class for tracking time |
CTimeSeries | Time Series Class |
CTinkerArc | Class for handling Tinker ARC files (concatenation of .xyz files) |
CTinkerXYZ | Class for reading a subset of the TinkerXYZ format |
CTrajectory | Base-class for polymorphic trajectories |
CTrajectoryError | Errors related to trajectory reading and writing |
CTrajectoryWriter | Base class for writing trajectories |
CTriggerAlways | This is a simple "trigger" for use as a default |
CTriggerEvery | Trigger every i-iterations |
CTRR | Class representing the GROMACS TRR trajectory files |
CUniformWeight | |
CUniqueStrings | Class for uniquifying strings.. |
CUnitCell | This class encapsulates crystallographic unit cell data |
Cunordered_pair_eq | Test equality of unordered pair. typename T must have == operator |
Cunordered_pair_hash | |
CUnsetProperty | Exception when trying to use an unset Atom property |
CUserTimer | Policy class for tracking only user process time |
CWallTimer | Policy class for tracking wall-time |
CWeights | |
CWeightsFromFile | |
CXDRDataSizeError | Exception indicating internal XDR error |
CXForm | Matrix class for handling coordinate transforms.. |
CXTC | Class representing GROMACS reduced precision, compressed trajectories |
CXTCWriter | Class for writing Gromacs XTC trajectories |
CZSliceSelector | Predicate for selecting atoms in a specific range of z values |
►Npacking_score_per_res | |
CFullHelp | |
►Nscattering | |
CFullHelp | |
►Nset_segids | |
CFullHelp | |
CCalcDensity | |
CCalcDipole | |
CCalcHeight | |
CCalcMolOrder | |
CCalcOrientVector | |
CCalcProperty | |
CCalcPropertyBase | |
CDualWorker | |
CFlexLexer | |
CHeader | |
CMaster | |
CRegexFmt | |
CScanfFmt | |
CSimplex | Nelder-Meade Simplex Optimizer (based loosely on the NRC (1996) implementation) |
CSingleWorker | |
CSortDatum | |
CThreader | |
CToolOptions | |
CyyFlexLexer |