I&#39;ve got a perfect merohedral twin that is refining quite nicely using phenix.refine.&nbsp; 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.&nbsp; If possible, I&#39;d like to automate the placement of the ligand and build of the diordered region.&nbsp; The data is 3A so it might not work all that well.&nbsp; From looking at LigandFit( I haven&#39;t taken a close look at Autobuild yet), I don&#39;t see a way to tell the wizard I have twinning.<br>
<br>So, can I use Ligand Fit or Autobuild with twinned data?&nbsp; 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?<br><br>Another question/comment.&nbsp; Can I make detwinned 3Fo-2Fc maps?&nbsp; 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.<br>
<br>Thanks,<br><br>Mary<br>