Hi James, You can do this in two ways. Both involve the keyword, consider_main_chain_list="pdb1.pdb pdb2.pdb pdb3.pdb" which lets you suggest a set of models to autobuild to consider in model-building. 1. You can use this with rebuild_in_place (all your models should have the same atoms, just with different coordinates): phenix.autobuild data.mtz map_file=map.mtz seq_file= seq.dat \ model=coords1.pdb rebuild_in_place=True merge_models=true \ consider_main_chain_list=" coords2.pdb coords3.pdb" \ number_of_parallel_models=1 n_cycle_rebuild_max=1 2. You can also use it with rebuild_in_place=False (any fragments or models are ok): phenix.autobuild data.mtz map_file=map.mtz seq_file= seq.dat \ model=coords1.pdb rebuild_in_place=False \ consider_main_chain_list=" coords2.pdb coords3.pdb" \ number_of_parallel_models=1 n_cycle_rebuild_max=1 All the best, Tom T
Is there a way to use AutoBuild to combine a set of models created by multi-start simulated annealing?
I've used a random number generator to seed different SA runs at two temperatures, as suggested on this bulletin board before ... but can combine the best parts of these models automatically?
--James _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb