What's new in BALLView 1.4.0
Sep 17, 2011
- 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
- Support for crystallographic information in PDB files
- Improved MOL2 parser (Correctly output SYBYL types)
- Improved HBondProcessor
- Added the SimpleDownloader class for easy file downloads.
- Some fixes as suggested by Cppcheck
- Made files non copyable/assignable
- Deprecation of the BALL::List class
- Removal of deprecated functions (NumericalSAS/SES and Quaternion)
- Fixes in MMFF94 atom type assignment
- Fixed various bugs in the SES surface generation
- All unit tests pass under Windows and MacOS
- Removal of dead code
- Fixed many warnings
- BALLView:
- New IconLoader class
- Improved icons in BALLView
- Usability improvements in the edit mode
- Beginning i18n/translation support
- German
- Chinese
- Possibility to switch between orthographic/perspective projection
- Better full screen code
- Relayouting of many dialogs
- Improved color buttons
- Merging of duplicated widget code
- Improved SDWidget
- Improved PubChem download dialog
- Improved downloading of e.g. PDB files
- Support for transparent labels
- Python:
- Improved Bindings
- Compatibility with new SIP versions
- More python example scripts
- Wrapped HashGrid (as AtomHashGrid)