ADF Graphical User Interface (ADF-GUI) improvements

The most important improvements and changes for the ADF-GUI are:

• fragment analysis supported
• easy building of complicated metal-ligand compounds: many standard structures and ligands built-in
• linear transit support in ADFinput and ADFmovie
• protein QM/MM calculations with PDB files (pdb2adf interface)
• .adf files are included in the $ADFHOME/examples/adf directory
• simplification selecting NMR nuclei for users
• visualization of spin-orbit coupled calculations in ADFlevels, ADFview, ADFspectra
• additional tutorials to explain the new features

Other important improvements and changes for the ADF-GUI are:

• add structure to all selected atoms
• popup menu on atom with many options
• properties only task
• improve the usability of the templates (now presets)
• color coding to warn you that you changed input fields
• .adf files are included in the $ADFHOME/examples/adf directory
• select picture resolution
• tip of the day
• layout improvement: more space for your molecule