CrystalExplorer 2 Release Notes

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2.0 (r307)

  • Atom Site Labels are displayed in the status bar when you select an atom
  • Filtered fingerprints now have a grey background of the full fingerprint plot.
  • Improved POV-Ray export.
  • User can toggle visibility of master list and information dialogs (useful on small monitors).

2.0 (r300)

  • New interface - floating windows are docked at the right of the main window.
  • Massive speed improvements.
  • Partial fingerprint plots and Hirshfeld surfaces.[1]
  • Fingerprint plots can be contrast-enhanced.
  • New surface property - dnorm - a normalised contact distance.
  • POV-Ray export of graphics.
  • Better export of graphics to bitmap images and clipboard.
  • CrystalExplorer can check for updates.
  • Coordinates of selected atoms can be copied to the clipboard.
  • Depth-faded graphics for better depth-perception.
  • Improved close-contact highlighting.
  • Better control of preferences.
  • It is now easier to select atoms, particularly hydrogen atoms.
  • Many, many bugs fixed.
  • We now use Ångstrom units everywhere.
  • Units are given in surface property dialogs.
  • Rotate about Z (the viewing axis) by holding shift key while dragging.
  • Added the capability to export a movie (really an image sequence).

References

  1. J.J. McKinnon, D. Jayatilaka, M.A. Spackman, Chem Commun., 2007 ,3814 - 3816:
    Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces