This is a maintenance release of the BTK Core
library, containing documentation updates,
bugfixes, and minor feature additions. Interfaces
are intended to be backwards-compatible with the
0.8 release, though in some cases, re-compilation
will be required.
This release represents a complete rewrite and
reorganization of the core stable classes of the
Biomolecule Toolkit. Included are classes for
representing atoms, molecules, polymers, and
multi-molecule systems, along with PDB-formatted
I/O, mathematical routines, and algorithms that
are useful for molecular modelling.
This is an updated developer's release of the Biomolecule Toolkit (BTK). Significant changes include addition of optimal superposition and fast rmsd functions, addition of protein N-terminal and C-terminal groups, conversion of the general-purpose atom-based algorithms to template code for use with different iterator types, fixes for building protein backbone amide protons and protein backbone carbonyl oxygen atoms, significant changes to atom storage/lookup system for increased generality, and migration of the underlying linear algebra code to the Boost::uBLAS library.
This is a developer's release of the BTK. Significant changes include the addition of static-body translation, rotation, center-of-mass and principal-axis calculations, the creation of a constructable static-body Molecule class and extensive cleanup of molecule building/folding code. Also, the PredicateIterator class has been introduced for use in selective molecule iteration. Finally, there have been numerous code cleanups and bugfixes.
This is an updated developer's release of the Biomolecule Toolkit. Changes in this version include a rewrite of the pdb reader interface, extensive renaming of classes and methods, movement of atomic coordinate representation to the base Molecule class, and a number of bugfixes and general code cleanups.
