Hi Oliver, no, it does not do it for all residues. It does it for residues that have poor fit to the map or unlikely rotameric state. There is a potential to make this smarter and faster. Pavel On 2/10/18 09:41, Oliver Clarke wrote:
Related to the last message - when using local_grid_search, does phenix attempt to torsion-angle search every residue, or just outliers?
It would seem like maybe using EMRinger or similar to identify residues where there is strong sidechain density, but in a non-rotameric position or with an incorrectly fit rotamer might be one way to make it more efficient if it is the former.
I don’t want phenix trying to do a local grid search on residues with no sidechain density - these may be in an area of the map with poor local resolution, perhaps where I have docked a crystal structure, or carefully manually adjusted rotamers - local grid search in these regions is likely to make things worse if it is not focused on residues with clear sidechain density.
Cheers Oli _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]