The Biomolecule Toolkit is an Open Source library for the structural modeling of biological macromolecules. The toolkit provides a C++ interface for common tasks in computational structural biology, to facilitate the development of molecular modeling, design, and analysis tools.
|Tags||Software Development Libraries Scientific/Engineering Chemistry Bioinformatics|
|Operating Systems||POSIX Linux Mac OS X OS Independent|
Release Notes: 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.
Release Notes: 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.
Release Notes: 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.
Release Notes: 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.
Release Notes: 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.