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BALL and BALLView 1.4.0 released

We are happy to announce the latest release of BALL and BALLView. The release adds some new functionality in library and visualization,

You can download the latest release from the BALL website.
Here is non exhaustive list of changes:

  • 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
    • i18n/translation support
      • German
      • Chinese
    • 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<Atom> (as AtomHashGrid)

For a list of fixed bugs refer to: