Biomolecule Toolkit Biomolecule Toolkit - Library for modeling biological macromolecules such as proteins, DNA and RNA.
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design analysis model design molecule molecule analysis model molecule

Biomolecule Toolkit Description

Biomolecule Toolkit - Library for modeling biological macromolecules such as proteins, DNA and RNA. The Biomolecule Toolkit is a library for modeling biological macromolecules such as proteins, DNA and RNA. It provides a C interface for common tasks in computational structural biology to facilitate and standardize the development of molecular modeling, analysis and design tools. What's New in This Release: Among the significant changes in this release: · Documentation updates · Addition of an extensive discussion of the leastsquares_superposition and RMSD-calculation methods, including a description of the mathematical theory behind their operation. · Fully documented the rotation/translation methods · Addition of a documented example program ("gyration_radius.cpp") · Bug fixes · Fixed copy construction bug in PDBAtomDecorator that caused compilation errors in rare situations. · Fixed a bug in PDBFileParser that caused a compilation error in the PDBSystem copy constructor. · Fixed a const-conversion bug in GroupedElementIterator which prevented proper interoperation of const and non-const iterator types. · Fixed a crash-producing bug in stream output for the TypeID class. · Fixed a math error in RMSD and superposition methods that would corrupt molecule coordinates. · Fixed a bug that caused all default-constructed PDBAtom objects to be treated as HETATMs. · Feature additions · Added operator[] to AtomicStructure and PolymerStructure-derived classes. · Added protected increment() and decrement() operators to TypeID class. · PDBFileParser can now handle PDB files with ill-formed residue numbering (i.e. Files where residue numbers are repeated in successive chains).

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