Last modified 4 months ago
Last modified on 11/08/2012 02:59:47 PM
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
- Liveplot can be used for Topas results (see http://topas.dur.ac.uk/topaswiki/doku.php?id=outputting_publication_quality_plots_using_expgui&s[]=liveplot [site registration required]).
- 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