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Biomolecule Toolkit 0.8.1

  Date Added: March 09, 2010  |  Visits: 721

Biomolecule Toolkit

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Biomolecule Toolkit project 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. Whats New 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)..

Requirements: No special requirements
Platforms: Linux
Keyword: Biomolecule Fixed Libraries Library Modeling Open Source Programming Structural Toolkit
Users rating: 0/10

License: Freeware Size: 450.56 KB
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