New Release
Buildsystem:
· Removed the old autotools based build system
· Many fixes to the new CMake based build system
· Visual Studio 2010 support
· GCC 4.5 support
Core:
· Added a linear algebra library (experimental)
· Added support for reading BMRB files as used for NMR
· Implemented chemical shift prediction (ShiftX like)
· Added a NameConverter class to switch between atom naming standards
· Support for reading Antechamber files
· Added crystallographic data structures
· Added NamedPropertyIterator
· Extended QSAR code
· Merged support for the MPI interface
· Removal of the static atom attributes vector (prevents crashes resulting from certain usage patterns)
· Rewrote the SDGenerator
· Optimized memory footprint of HashGrid
· Improved performance and memory footprint of SES generation
· Introduced various convenience functions in core classes (System::getProtein, Protein::getResidueByID, ...)
· Support for alternative location markers in PDB files
[ BALLView full changelog ]
BALLView 1.4.0
