id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
4112	swapaa may be using probability as dominant criterion	Elaine Meng	Eric Pettersen	"unless I am confused.  Here is the example:

open 6pt2
del /B,D
hide targ ar
show :128 :<4
view clip false
swapaa :128 ASN

... chooses rotamer with 1 hb 1 clash (both calculated using default options) but the highest probability. (Sidechain angles: labels give chi1 -69.3 chi2 -19.3 slightly different from the -73,-19 in rotamer dialog) However, there are several rotamers with 0 clashes, some similar to the wild-type ASP position, that should be chosen over the one that is apparently used."	defect	closed	major		Structure Editing		not a bug		Tom Goddard				all	ChimeraX