Version 1 (modified by toby, 9 years ago) (diff)


EXPGUI updates Nov 8, 2012

A number of changes have been added since the last announced update over a year ago (there have been several unannounced updates).

  • Setup, compute and display (in DrawXTL) Fourier maps
  • In addition to the bond-distance restraints announced then, we now have chemical restraints, so a new panel for restraints has been created to keep them separate from constraints.
  • Log(I) plots added to liveplot
  • Option to fix atom coordinates (needed for polar space groups and perhaps for pseudo-symmetry)
  • Edit anomalous (resonant) scattering (f' & f") terms for elements in a histogram
  • more work on rigid bodies
  • deal with updates & installs behind proxy firewalls
  • numerous bug fixes