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Fox 2024.1

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@vincefn vincefn released this 28 Aug 18:33
· 3 commits to master since this release

2024.1 (August 2024)

NEW FEATURES

  • Added inter-molecular restraints, to take into account information
    from ssNMR (Jan Rohlicek)
  • Documentation is now hosted through readthedocs.org (accessible from https://fox.vincefn.net)
  • The macOS image is now a universal binary for Apple Silicon (ARM64)
    and X86_64 machines

IMPROVEMENTS

  • Overhaul of the FoxGrid interface (Jan Rohlicek)
  • Enable building against unbundled cctbx library (Scott Talbert)
  • the list of HKL reflections will now be more automatically be re-generated
    when the spacegroup changes or the lattice parameters change by more than 0.5%
  • Switched to wxWidgets 3.2.5

Objcryst API changes

  • Make sure Molecule::BuildConnectivityTable() always list all atoms,
    even if their connectivity list is empty
  • Update lattice parameters from symmetry constraints before throwing
    an exception due to angles outside ]0 ; pi[
  • Add PowderPattern::RemovePowderPatternComponent and wxPowderPattern::OnMenuRemoveComp
  • Add UnitCell::ChangeSpaceGroup(), which updates lattice parameter symmetry constraints
  • Throw an exception if alpha, beta or gamma are not within ]0;pi[ in UnitCell::Init()

NOTES

  • This also includes an updated cctbx.tar.bz2 with boost 1.86