It's not totally clear to me what the question was, but I think the
answer is "sort of". There is no simple way in the current GUI to set
up the experiment as Tom described, but what you would do is this:
1. Add the files as a single-wavelength MAD experiment.
2. When you're ready to run, click the Run button - it should pop open
a menu, and instead of choosing "Run now" you want to choose "Edit
parameters and run".
3. A text editor will open with the final AutoSol parameters, and you
need to edit each wavelength to add the group number.
I'll see if it's easy to add the group number to the GUI - I think I
had resisted this because I ran out of space for more controls, but
it's probably necessary.
On Fri, Feb 3, 2012 at 8:08 AM, Terwilliger, Thomas C
2. Take the sites from #1 above ("ha_1.pdb_formatted.pdb" ) and use those as inputs to autosol with "sites_file=ha_1.pdb_formatted.pdb" or something like that. Make a little script to run 3 datasets in autosol. It will look like this, where the "group=1" etc commands will tell autosol to keep all the wavelengths separate and to run SAD phasing on each individually, then merge the resulting phase information. If you leave off the group=xx commands, then autosol will treat them all as if they are from a single crystal (you can try this too if you like, and it may work if the crystals are very similar.)
General question for Tom (etc.): what's the advantage of doing this versus treating the three wavelengths as a single-crystal MAD experiment? -Nat