- use rpm %ifarch

- Updated to OpenBabel 2.3.0
  * Completely rewritten stereochemistry perception, including support
    for tetrahedral, square planar, and higher-order stereochemistry.
  * Dramatically improved canonicalization algorithm (Note that in general, canonical SMILES have changed since the 2.2.x release.)
  * 2D depiction, including SVG vector graphics generation using code from MCDL.
  * New Spectrophore generation, contributed by Silicos NV.
  * New ChargeMethod API including support for partial charge assignment
    from Gasteiger, MMFF94, QEq, QTPIE methods and plugin interface for
    adding more.
  * Improved 3D coordinate generation.
  * New conformer generation framework, including support for diverse
    conformer generation and genetic algorithm lowest-energy searching.
  * Improved user documentation.
  * Improved aromaticity / Kekule bond assignment.
  * Improved unit test suite using the CMake-based CTest program.
  * Improved support for crystallographic unit cells (e.g., in CIF format).
  * Improved UFF force field method, including hypervalent 5, 6, 7 and higher coordination numbers.
  * Support for the GAFF (Generalized Amber Force Field) method.
  * Support for reading geometry optimizations as multiple conformers
    from Gaussian, GAMESS-US, and other quantum chemistry packages.
  * Support for reading molecular orbital energies from quantum chemistry formats.
  * Several memory leaks fixed.
  * Fixed many compiler warnings.
  * Fixed support for MinGW and Cygwin environments.
  * Fixed bugs with Gaussian 09 output files.
  * Latest released version of the InChI library (1.0.3) generating standard InChI.
  * Many more bug fixes and small feature improvements.

• Files Changed
• Browse Source