id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
2311	"Implement ""backrub"" algorithm for rotamer optimization"	tic20@…	Eric Pettersen	"A less pressing potential enhancement would be to include the ""backrub"" algorithm when optimising the rotamer for clashes/fit to density (https://academic.oup.com/bioinformatics/article/24/13/i196/233217). It's quite simple to implement and often makes a big difference, although it still doesn't help in every case (in particular, a 180 degree flip around chi1 of Ile, where you really need a degree of freedom waggling CB ~parallel to the N-C axis to avoid the sidechain staying obstinately out of density). I have a basic version in ISOLDE, although I need to do some more intelligent weighting of density vs. clashes and prior probability before it'll be really useful."	defect	assigned	moderate		Structure Editing								all	ChimeraX