Hi James, As you found, if you put you multiple conformations in for the protein autobuild will take only conformation 1 and it will ignore the others. In the longer term, we plan to have autobuild deal properly with multiple conformations, but that will take some time... As a work-around, you could try this: call all the protein a "ligand" and put it in this way (you need to give it one complete residue in the model as "one_residue.pdb" (or any part of the model that has just one conformation): phenix.autobuild data=data.mtz \ model=one_residue.pdb \ input_lig_file_list=model.pdb \ composite_omit_type=sa_omit Autobuild treats ligands as a fixed structure during model building and in omit maps, only adjusted during refinement, which is what you want in this case Let me know if that doesn't do it! All the best, Tom T
Is there anyway to get phenix.autobuild to NOT delete multiple conformers when doing a SA-omit map?
Thanks,
jf
-- James Fraser [email protected] Alber Lab 356 Stanley Hall, QB3 UC Berkeley Berkeley, CA 94720 http://ucxray.berkeley.edu/~jfraser/ _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb