id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
1145	Assign B-factors to added atoms	Tristan Croll	Tom Goddard	This applies to AddH and SwapAA at present. It would be great if the added atoms were assigned reasonable B-factors on addition (e.g. the B-factor of the heavy atom for hydrogen addition; the average of the backbone B-factors for swapAA). Crystallographic and high-res cryo-EM refinement are both very sensitive to B-factor, and do best when the starting guesses are reasonably close to reality. For example, adding zero-b-factor hydrogens to the 272 waters in a well-refined 892-residue, 2.1-Angstrom crystal structure increases the R-free by about 4%, and phenix.refine really struggles to bring it back down. 	enhancement	closed	moderate		Structure Editing		fixed		Tom Goddard				all	ChimeraX