HI, You should be able to feed in a phenix.refine definition that specifies that you have twinned data. regarding the maps, the 3fo-2fc is not possible, but i can change that. imhe, the sigmaa weighted maps are okai most of the time. P 2008/3/20, Mary Fitzgerald :

I've got a perfect merohedral twin that is refining quite nicely using phenix.refine. In my detwinned FoFc maps, I see density for for a previously diordered region of protein and at least one ligand I soaked in, possibly more. If possible, I'd like to automate the placement of the ligand and build of the diordered region. The data is 3A so it might not work all that well. From looking at LigandFit( I haven't taken a close look at Autobuild yet), I don't see a way to tell the wizard I have twinning.

So, can I use Ligand Fit or Autobuild with twinned data? Will the wizards work if I feed it detwinned data and is there a way to get phenix.refine to output the detwinned data other then as map coefficients?

Another question/comment. Can I make detwinned 3Fo-2Fc maps? When I tried using the February version of cci_apps, I got an error when I changed the coefficients on my maps in my phenix.def file.

Thanks,

Mary

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