Classes

• module pyxmolpp2 Pure-python part of pyxmolpp2
  • class AmberNetCDF Amber trajectory file
  • class AngleValue Angular value
  • class Atom Atom reference
  • class AtomPredicate Atom Preidcate
  • class AtomSelection Ordered set of atom references
  • class AtomSpan Continuous span of atom references
  • class CoordSelection Ordered set of atomic coordinate references
  • class CoordSelectionSizeMismatchError
  • class CoordSpan Continuous span of atomic coordinate references
  • class DeadFrameAccessError
  • class DeadObserverAccessError
  • class Frame Molecular frame
  • class GeomError
  • class GromacsXtcFile Gromacs binary .xtc input file
  • class Molecule Molecule reference
  • class MoleculePredicate Molecule Predicate
  • class MoleculeSelection Ordered set of molecule references
  • class MoleculeSpan Continuous span of molecule references
  • class MultipleFramesSelectionError
  • class PdbFile PDB file
  • class Residue Residue reference
  • class ResidueId Residue id
  • class ResiduePredicate Residue Predicate
  • class ResidueSelection Ordered set of residue references
  • class ResidueSpan Continuous span of residue references
  • class Rotation Rotational transformation
  • class SpanSplitError
  • class TorsionAngle Torsion angle
  • class TorsionAngleFactory Generates torsion angles for standard residues
  • class Trajectory Trajectory of frames
    • class Iterator
    • class Slice
  • class TrajectoryDoubleTraverseError
  • class TrajectoryInputFile Trajectory input file ABC
  • class Transformation Generic transformation
  • class Translation Translational transformation
  • class TrjtoolDatFile Trajtool trajectory file
  • class UniformScale Uniform scale transformation
  • class UnitCell Unit cell
    • class ClosestImage Result of closest periodic image search
  • class XYZ 3D Vector
  • class XtcReadError
  • class XtcWriteError
  • class XtcWriter Writes frames in .xtc binary format
• module pyxmolpp2.pipe
  • class Align
  • class AssembleQuaternaryStructure
  • class ProcessedTrajectory
  • class Run Serves for declarative trajectory processing style
  • class ScaleUnitCell
  • class StatelessTrajectoryProcessor
  • class TrajectoryProcessor
  • class TrajectoryProcessorPair
  • class WriteVectorsToCsv
  • class _AlignPython Illustrates implementation of Align in pure python