id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
2528	Renumbering residues	Tristan Croll	Eric Pettersen	"(Vaguely recall asking this once before, but can't find the ticket)

This will start becoming more important for me as ISOLDE moves into its next phase of supporting model *building* (rather than just *re*building). Case in point: yesterday a postdoc in Denmark emailed me to ask for advice on his in-progress new 3.4A crystal structure. Its state is representative of many models at the early stages of building: some portions complete and essentially correct, but other parts only traced as isolated poly-ala. Not only is the absolute numbering of these fragments unknown, but they almost inevitably start off with *internal* errors as well (i.e. too many/too few residues in a loop). Bringing it up to a final polished state will therefore require quite a bit of reordering and renumbering of residues.

I see that currently the number of a `Residue` is an immutable property of the C++ object. Are there big barriers to changing that? Or would it be better on my part to achieve renumbering by simply deleting the old residues and creating identical copies with the new numbers?

To be honest, now that I think about it the latter approach is probably best - since in some cases even the *chain* a given fragment belongs to starts out unknown. Still, would be interested in hearing your thoughts."	enhancement	closed	moderate		Structure Editing		fixed						all	ChimeraX