BALL Modules

• Foundation Classes
  • Common Definitions
  • Concepts
    • Iterators
    • Object Persistence.
    • Class Black Box Testing
    • Benchmarking of classes.
    • Miscellaneous
  • General datastructures
    • Generic Datastructures for Regularly Spaced Data
    • Generic Hash Associative Containers
      • Three-dimensional Hash Grid
    • Miscellaneous
      • String
  • Mathematics
    • Analytical Geometry
    • Primitive datatypes
      • Representation of angles.
      • 4x4 Matrix
      • Quaternion
      • Two-dimensional vectors.
      • Three-dimensional vector.
      • Four-dimensional vector.
    • Geometric objects
      • Generic three-dimensional box.
      • Generic three-dimensional circle.
      • Generic Line in Three-Dimensional Space.
      • Plane in three-dimensional space.
      • Box
      • Sphere
      • Surface in three-dimensional space.
    • Fast Fourier Transforms
    • Function classes
  • Operating system support
• Kernel Classes
  • Molecular Datastructures
  • Iterator Classes
  • Miscellaneous
    • Periodic Table of Elements
  • Kernel Predicates
• Molecular Modeling
  • Energy evaluation (non-MM)
    • Electrostatic energy
    • Miscellaneous
  • File Formats
    • Molecular structure file formats
    • Molecular Dynamics Trajectory File Formats
    • General Purpose File Formats
      • Support for hierarchical text data.
    • NMR File Formats
  • Molecular Mechanics
    • AMBER Force Field.
    • CHARMM Force Field.
    • General Force Field Classes.
    • Rule-based parameter assignment
    • Molecular Dynamics Simulation
    • Energy Minimizer
    • MMFF94 Force Field.
    • Force Field Parameters
  • Nuclear Magnetic Resonance Spectroscopy
    • Shift model classes
    • NMR spectra and related classes
    • Shift modules
  • QSAR -- Quantitative Structure Activity Relationship.
    • Molecular Descriptors
  • Solvation methods
  • Molecular Structure
    • Rotamers
    • Radial Distribution Functions
    • Molecular Surface Computation
    • Miscellaneous
    • Creation of peptides
    • Matching of submolecular structures
    • Mapping of molecular structures
    • Geometric property processors.
    • Docking of molecular structures
• Visualisation
  • Datatypes for the VIEW framework
    • Different color classes
    • Format conversion classes used by the color classes
    • Helper Base Classes for derived GeometricObject 's
  • QT Dialogs
  • Kernel
    • Client/Server request handling
    • Widget connectivity and message queuing
      • Messages
    • Geometric primitives and their management
    • Setup of the Stage, Camera and LightSources
    • Other classes
  • Model Processors
  • Geometric Objects
  • Renderer
  • Modular Widgets
• Python
  • Python extensions
• Common Mathematical Functions