BALLView 1.4.0

BALLView 1.4.0

User Rating: Fair (0.00/5)

License:
GPL / FREE
Price:
$0
Developer:
Andreas Moll|More programs
OS:
Updated:
March 22nd, 2012

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21.82 MB|0 downloads

BALLView 1.4.0 Description

BALLView 1.4.0 brings you an interesting and impressive standalone molecular modeling and visualization application. Furthermore it is also a framework for developing molecular visualization functionality. It is available free of charge under the GPL for Linux, Windows and MacOS. 

Enhancements:
  • 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)
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